CAS 844633-96-1 | 2,2'-Bithiophene, 5,5'-di-2-naphthacenyl- | CAS Number 844633-96-1

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844633-96-1 | 2,2'-Bithiophene, 5,5'-di-2-naphthacenyl-

CAS No: 844633-96-1 Catalog No: AG004SFG MDL No:

Product Description

Catalog Number:

AG004SFG

Chemical Name:

2,2'-Bithiophene, 5,5'-di-2-naphthacenyl-

CAS Number:

844633-96-1

Molecular Formula:

C44H26S2

Molecular Weight:

618.8072

IUPAC Name:

2-tetracen-2-yl-5-(5-tetracen-2-ylthiophen-2-yl)thiophene

InChI:

InChI=1S/C44H26S2/c1-3-7-29-19-39-25-35-23-33(11-9-31(35)21-37(39)17-27(29)5-1)41-13-15-43(45-41)44-16-14-42(46-44)34-12-10-32-22-38-18-28-6-2-4-8-30(28)20-40(38)26-36(32)24-34/h1-26H

InChI Key:

MKIIVQIOZYTIPM-UHFFFAOYSA-N

SMILES:

c1ccc2c(c1)cc1c(c2)cc2c(c1)cc(cc2)c1ccc(s1)c1ccc(s1)c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2

Properties

Complexity:

973

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

618.148g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

618.812g/mol

Monoisotopic Mass:

618.148g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

13.8

Literature

Title	Journal
p-Channel organic semiconductors based on hybrid acene-thiophene molecules for thin-film transistor applications.	Journal of the American Chemical Society 20050323