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396073-77-1 | 1H-Benzimidazole, 1,1'-[1,1'-biphenyl]-4,4'-diylbis[2-phenyl-
CAS No: 396073-77-1 Catalog No: AG00787A MDL No:
Product Description
Catalog Number:
AG00787A
Chemical Name:
1H-Benzimidazole, 1,1'-[1,1'-biphenyl]-4,4'-diylbis[2-phenyl-
CAS Number:
396073-77-1
Molecular Formula:
C38H26N4
Molecular Weight:
538.6398
IUPAC Name:
2-phenyl-1-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole
InChI:
InChI=1S/C38H26N4/c1-3-11-29(12-4-1)37-39-33-15-7-9-17-35(33)41(37)31-23-19-27(20-24-31)28-21-25-32(26-22-28)42-36-18-10-8-16-34(36)40-38(42)30-13-5-2-6-14-30/h1-26H
InChI Key:
WAWYZLCWVBSMQN-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nc2c(n1c1ccc(cc1)c1ccc(cc1)n1c(nc3c1cccc3)c1ccccc1)cccc2
Properties
Complexity:
779
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
538.216g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
538.654g/mol
Monoisotopic Mass:
538.216g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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