Rubrene - PrimorTrace™, sublimed grade, ≥99.99% metals basis , CAS No.517-51-1

CAS: 517-51-1 Cat. No.: R432820 分子式: C₄₂H₂₈ 分子量: 532.67 Beilstein Registry Number: 1917339 EC番号: 208-242-0 PubChem CID: 68203

GRADE & PURITY PrimorTrace™, Sublimed grade, ≥99.99% metals basis

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

Shipped In

Normal

概要

TGA/DSC Lot specific traces available upon request

Application

Organic electronic material useful as OLED dopant (red, λ em = 550nm) and as p-type organic semiconductor. Carrier mobilities of 8-20 cm 2 / Vs can be achieved in OFETs based on single crystals of sublimed rubrene. Reagent for chemiluminescence research and for transition metal complex ligation.

Specifications

同義語

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 |

仕様と純度

PrimorTrace™, sublimed grade, ≥99.99% metals basis

保管条件

Room temperature

入荷

Normal

等級

PrimorTrace™, 昇華プリント用グレード

純度

≥99.99% metals basis

名前と識別子

パブケム・シド

528774543

カノニカル・スマイル

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

異性体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ドイツ

3

PubChem CID

68203

分子量

532.67

Beilstein

1917339

Reaxy-Rn

1917339

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lignans, neolignans and related compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 融点（°C）: 330-335 °C
• 分子量: 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