Rubrene - sublimed grade, ≥99%(HPLC) , CAS No.517-51-1

CAS: 517-51-1 Cat. No.: R115354 분자식: C₄₂H₂₈ 분자량: 532.67 Beilstein Registry Number: 1917339 EC 번호: 208-242-0 PubChem CID: 68203

GRADE & PURITY Sublimed grade, ≥99%(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

개요

Organic electronic material useful as OLED dopant (red, λem = 550nm) and as p-type organic semiconductor.1 Carrier mobilities of 8-20 cm2/ Vs can be achieved in OFETs based on single crystals of sublimed rubrene. Reagent for chemiluminescence research and for transition metal complex ligation.

Specifications

동의어

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 |

사양 및 순도

sublimed grade, ≥99%(HPLC)

보관 조건

Room temperature,Argon charged

배송

Normal

등급

승화 등급

순수함

≥99%(HPLC)

이름과 식별자

Pubchem Sid

504754267

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754267

정식 스마일

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

IUPAC Name

5,6,11,12-tetraphenyltetracene

InChIKey

YYMBJDOZVAITBP-UHFFFAOYSA-N

INCHI

1S/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

이성체 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 독일

3

PubChem CID

68203

분자량

532.67

Beilstein

1917339

Reaxy-Rn

1917339

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lignans, neolignans and related compounds
    • 분류 Arylnaphthalene lignans

• Kingdom: Organic compounds
• Superclass: Lignans, neolignans and related compounds
• 분류: Arylnaphthalene lignans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Arylnaphthalene lignans
• Alternative Parents: Linear diarylheptanoids Naphthacenes Benzene and substituted derivatives Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic 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
• 설명: This 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 용해성: Soluble in hot toluene. Insoluble in water.
• 감도: Air sensitive.
• 녹는점(°C): 330-335 °C
• 분자량: 532.700 g/mol
• XLogP3: 12.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 532.219 Da
• Monoisotopic Mass: 532.219 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 696.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1