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5，12-Bis(phenylethynyl)tetracene - ≥95%, high purity , CAS No.18826-29-4

COA

Grade & Purity:

≥95%

Cas Number: 18826-29-4
Molecular Weight: 428.5
PubChem CID: 87816

In stock

Item Number

B694955

Grouped product items
SKU	Size	Availability	Price	Qty
B694955-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$482.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Naphthacenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthacenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Naphthacenes
Alternative Parents	Benzene and substituted derivatives Aromatic hydrocarbons Polycyclic hydrocarbons Acetylenes
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Tetracene - Monocyclic benzene moiety - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Acetylene - Hydrocarbon - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as naphthacenes. These are compounds containing a naphthacene moiety, which is a polyaromatic hydrocarbon made of four linearly fused benzene rings.
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	5,12-bis(2-phenylethynyl)tetracene
INCHI	InChI=1S/C34H20/c1-3-11-25(12-4-1)19-21-31-29-17-9-10-18-30(29)32(22-20-26-13-5-2-6-14-26)34-24-28-16-8-7-15-27(28)23-33(31)34/h1-18,23-24H
InChIKey	OUHYGBCAEPBUNA-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C#CC2=C3C=CC=CC3=C(C4=CC5=CC=CC=C5C=C42)C#CC6=CC=CC=C6
Isomeric SMILES	C1=CC=C(C=C1)C#CC2=C3C=CC=CC3=C(C4=CC5=CC=CC=C5C=C42)C#CC6=CC=CC=C6
PubChem CID	87816
Molecular Weight	428.5

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	428.500 g/mol
XLogP3	9.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	4
Exact Mass	428.157 Da
Monoisotopic Mass	428.157 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	741.000
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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