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915951-89-2

915951-89-2 | Thiophene, 3,3'-(1,3-cyclopentadiene-1,2-diyl)bis[2-methyl-5-phenyl-

CAS No: 915951-89-2 Catalog No: AG006FW6 MDL No:

Product Description

Catalog Number:
AG006FW6
Chemical Name:
Thiophene, 3,3'-(1,3-cyclopentadiene-1,2-diyl)bis[2-methyl-5-phenyl-
CAS Number:
915951-89-2
Molecular Formula:
C27H22S2
Molecular Weight:
410.5936
IUPAC Name:
2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)cyclopenta-1,3-dien-1-yl]-5-phenylthiophene
InChI:
InChI=1S/C27H22S2/c1-18-24(16-26(28-18)20-10-5-3-6-11-20)22-14-9-15-23(22)25-17-27(29-19(25)2)21-12-7-4-8-13-21/h3-14,16-17H,15H2,1-2H3
InChI Key:
OGNUSXLSLSNXPH-UHFFFAOYSA-N
SMILES:
Cc1sc(cc1C1=C(CC=C1)c1cc(sc1C)c1ccccc1)c1ccccc1

Properties

Complexity:
622  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.116g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.593g/mol
Monoisotopic Mass:
410.116g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7  

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