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136970-50-8 | Thiophene, 2,5-bis(diphenylmethylene)-2,5-dihydro-
CAS No: 136970-50-8 Catalog No: AG0012MD MDL No:
Product Description
Catalog Number:
AG0012MD
Chemical Name:
Thiophene, 2,5-bis(diphenylmethylene)-2,5-dihydro-
CAS Number:
136970-50-8
Molecular Formula:
C30H22S
Molecular Weight:
414.5607
IUPAC Name:
2,5-dibenzhydrylidenethiophene
InChI:
InChI=1S/C30H22S/c1-5-13-23(14-6-1)29(24-15-7-2-8-16-24)27-21-22-28(31-27)30(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H
InChI Key:
KZPPGHCYZIASDR-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C(=c1ccc(=C(c2ccccc2)c2ccccc2)s1)c1ccccc1
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.144g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.566g/mol
Monoisotopic Mass:
414.144g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1
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