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1665-32-3 | 2,2':5',2''-Terthiophene, 5,5''-diphenyl-
CAS No: 1665-32-3 Catalog No: AG001WS2 MDL No:
Product Description
Catalog Number:
AG001WS2
Chemical Name:
2,2':5',2''-Terthiophene, 5,5''-diphenyl-
CAS Number:
1665-32-3
Molecular Formula:
C24H16S3
Molecular Weight:
400.5788
IUPAC Name:
2,5-bis(5-phenylthiophen-2-yl)thiophene
InChI:
InChI=1S/C24H16S3/c1-3-7-17(8-4-1)19-11-13-21(25-19)23-15-16-24(27-23)22-14-12-20(26-22)18-9-5-2-6-10-18/h1-16H
InChI Key:
XRJQPRXHZIHZQT-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccccc1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.041g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.572g/mol
Monoisotopic Mass:
400.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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