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849466-79-1 | Thiophene, 2,2'-(6,13-pentacenediyl)bis-
CAS No: 849466-79-1 Catalog No: AG004V6B MDL No:
Product Description
Catalog Number:
AG004V6B
Chemical Name:
Thiophene, 2,2'-(6,13-pentacenediyl)bis-
CAS Number:
849466-79-1
Molecular Formula:
C30H18S2
Molecular Weight:
442.5939
IUPAC Name:
2-(13-thiophen-2-ylpentacen-6-yl)thiophene
InChI:
InChI=1S/C30H18S2/c1-2-8-20-16-24-23(15-19(20)7-1)29(27-11-5-13-31-27)25-17-21-9-3-4-10-22(21)18-26(25)30(24)28-12-6-14-32-28/h1-18H
InChI Key:
UFJVWUVXQAZPRV-UHFFFAOYSA-N
SMILES:
c1csc(c1)c1c2cc3ccccc3cc2c(c2c1cc1ccccc1c2)c1cccs1
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.085g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.594g/mol
Monoisotopic Mass:
442.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6
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