Rubrene - ≥98%(HPLC) , CAS No.517-51-1

CAS: 517-51-1 Cat. No.: R115353 Molecular Weight: 532.67 Beilstein Registry Number: 1917339 EC Number: 208-242-0 PubChem CID: 68203
AVAILABLE TO ORDER
GRADE & PURITY ≥98%(HPLC)
Synonyms
rubreneperoxide | Q415911 | 5,11,12-Tetraphenylnaphthacene | Naphthacene,6,11,12-tetraphenyl- | 5,6,11,12-tetraphenyl-naphthacene, (rubrene) | 5,6,11,12-Tetraphenyltetracene | A828751 | Rubrene, sublimed grade, 99.99% trace metals basis | AKOS015840537 |
Storage
Room temperature,Argon charged
Shipped In
Normal
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Size
Status
Price
Qty
100mg
R115353-100mg
5

$14.90

$22.90
Save $8.00 (34.93%)
1g
R115353-1g
3

$29.90

$44.90
Save $15.00 (33.41%)
5g
R115353-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$83.90

$125.90
Save $42.00 (33.36%)
25g
R115353-25g
3

$415.90

$623.90
Save $208.00 (33.34%)
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Why this grade

≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature,Argon charged Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 7 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Reagent for chemiluminescence research and for transition metal complex ligation

Specifications

Synonyms
rubreneperoxide | Q415911 | 5, 11, 12-Tetraphenylnaphthacene | Naphthacene, 6, 11, 12-tetraphenyl- | 5, 6, 11, 12-tetraphenyl-naphthacene, (rubrene) | 5, 6, 11, 12-Tetraphenyltetracene | A828751 | Rubrene, sublimed grade, 99.99% trace metals basis | AKOS015840537 |
Specifications & Purity
≥98%(HPLC)
Storage
Room temperature, Argon charged
Shipped In
Normal
Purity
≥98%(HPLC)
Names and Identifiers
Canonical SmilesC1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=C(C5=CC=CC=C5C(=C24)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8
IUPAC Name5,6,11,12-tetraphenyltetracene
InChIKeyYYMBJDOZVAITBP-UHFFFAOYSA-N
INCHI1S/C42H28/c1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30/h1-28H
Isomeric SMILES C1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=C(C5=CC=CC=C5C(=C24)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8
WGK Germany 3
PubChem CID 68203
Molecular Weight 532.67
Beilstein 1917339
Reaxy-Rn 1917339

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLignans, neolignans and related compounds
ClassArylnaphthalene lignans
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentArylnaphthalene lignans
Alternative Parents Linear diarylheptanoids  Naphthacenes  Benzene and substituted derivatives  Aromatic hydrocarbons  Polycyclic hydrocarbons  Unsaturated hydrocarbons  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Linear 1,7-diphenylheptane skeleton - Arylnaphthalene lignan skeleton - Tetracene - Benzenoid - Monocyclic benzene moiety - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as arylnaphthalene lignans. These are lignans containing the arylnaphthalene skeleton, especially 9-(2H-1,3-benzodioxol-5-yl)-1H,3H-naphtho[2,3-c]furan-1-one or a derivative thereof. Arylnaphthalene lignans occur in nature and exhibit diverse biological activities.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

10 results found

Lot NumberCertificate TypeDateItem
K2217233Certificate of AnalysisMay 09, 2026 R115353
D2601100Certificate of AnalysisApr 09, 2026 R115353
E2413048Certificate of AnalysisFeb 04, 2026 R115353
A2215190Certificate of AnalysisJun 10, 2025 R115353
A2215194Certificate of AnalysisJun 10, 2025 R115353
A2215255Certificate of AnalysisJun 10, 2025 R115353
A2215269Certificate of AnalysisJun 10, 2025 R115353
A2621003Certificate of AnalysisJun 10, 2025 R115353
H2522699Certificate of AnalysisAug 21, 2024 R115353
L1911077Certificate of AnalysisJul 12, 2023 R115353
Chemical and Physical Properties
SolubilitySoluble in hot toluene. Insoluble in water.
SensitivityAir sensitive.
Melt Point(°C)330-335 °C
Molecular Weight532.700 g/mol
XLogP312.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Exact Mass532.219 Da
Monoisotopic Mass532.219 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count42
Formal Charge0
Complexity696.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Ruofei Xing, Ziqing Li, Wenxiao Zhao, Dong Wang, Ranran Xie, Yanxue Chen, Limin Wu, Xiaosheng Fang.  (2023)  Waterproof and Flexible Perovskite Photodetector Enabled By P-type Organic Molecular Rubrene with High Moisture and Mechanical Stability.  ADVANCED MATERIALS,      [PMID:38118456] [10.1002/adma.202310248]
2. Sartaj Wali, Qin Yin, Jiao Li, Guoxiang Si, Muhammad Shafi, Junfeng Ren, Hongbin Zhang.  (2021)  Organic rubrene/topological insulator Bi2Se3/SiO2 hybrid heterojunction photodetectors for broadband and ultrafast photodetection application.  Journal of Materials Chemistry C,  10  (4): (1289-1301).  [PMID:] [10.1039/D1TC04192D]
3. Xinyu Wang, Xing Wang, Glib V. Baryshnikov, Rashid R. Valiev, Rongwei Fan, Songtao Lu, Hans Ågren, Guanying Chen.  (2021)  A hybrid molecular sensitizer for triplet fusion upconversion.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2021.131282]
4. Xiaojing Zhang, Dong Liu, Bin Lu, Liehao Tian, Yuxin Li, Dalin Li, Jiawei Zhang, Tao He.  (2025)  Synergistic Surface Doping of Organic Crystals with Source-Gated Architectures: Ultra-stable, High-mobility and Strain-insensitive Stretchable Transistors.  Materials Horizons,      [PMID:40878193] [10.1039/D5MH01246E]
5. Bingbing Xie, Yuheng Fu, Zhongshun Wang, Yun Li, Qunyan Zhu, Lin Zhang, Wensheng Yang, Alexander Kuhn.  (2025)  One-Pot Single-Step Approach for the Controlled Synthesis of Multifunctional Microparticles.  ADVANCED MATERIALS,      [PMID:40474412] [10.1002/adma.202506777]
6. Kai Chen, Qinyong Dai, Yunfei Tian, Wenjun Chen, Chao Ai, Yishan Cao, Xianrong Yuan, Qijing Wang, Yi Shi, Yun Li.  (2025)  Ultra-Low-Power Vertical Organic Synaptic Phototransistors for Neuromorphic Vision Preprocessing.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202508673]
7. Junhan Zhang, Chenyue Wang, Chenyang Shen, Muyang Chen, Bingchen He, Zhenhuang Su, Liang Cao, Xingyu Gao.  (2025)  Distinct rubrene/CsPbI2Br interfacial energetics on spin-coated and vacuum evaporated perovskite films.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2025.163663]
Solution Calculators
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