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Rubrene - powder, high purity , CAS No.517-51-1

3 Citations

COA

Grade & Purity:

powder

Cas Number: 517-51-1
Molecular Weight: 532.67
Beilstein Registry Number: 1917339
EC Number: 208-242-0
MDL number: MFCD00003703
PubChem CID: 68203

In stock

Item Number

R476456

Grouped product items
SKU	Size	Availability	Price	Qty
R476456-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$105.90
R476456-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$525.90

Basic Description

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	powder
Product Description	Description Reagent for chemiluminescence research and for transition metal complex ligation.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lignans, neolignans and related compounds
  - Class Arylnaphthalene lignans

Kingdom	Organic compounds
Superclass	Lignans, neolignans and related compounds
Class	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
Description	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
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

Names and Identifiers

IUPAC Name	5,6,11,12-tetraphenyltetracene
INCHI	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
InChIKey	YYMBJDOZVAITBP-UHFFFAOYSA-N
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
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

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	330-335 °C
Molecular Weight	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 Å²
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

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