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Home > Imidazoles > 848441-36-1
848441-36-1 | 1H-Benzimidazole, 1,1'-[1,1'-biphenyl]-4,4'-diylbis[2-(2-pyridinyl)-
CAS No: 848441-36-1 Catalog No: AG004N3Y MDL No:
Product Description
Catalog Number:
AG004N3Y
Chemical Name:
1H-Benzimidazole, 1,1'-[1,1'-biphenyl]-4,4'-diylbis[2-(2-pyridinyl)-
CAS Number:
848441-36-1
Molecular Formula:
C36H24N6
Molecular Weight:
540.6160
IUPAC Name:
2-pyridin-2-yl-1-[4-[4-(2-pyridin-2-ylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole
InChI:
InChI=1S/C36H24N6/c1-3-13-33-29(9-1)39-35(31-11-5-7-23-37-31)41(33)27-19-15-25(16-20-27)26-17-21-28(22-18-26)42-34-14-4-2-10-30(34)40-36(42)32-12-6-8-24-38-32/h1-24H
InChI Key:
FSCYPYMMQQRWPV-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)c1nc2c(n1c1ccc(cc1)c1ccc(cc1)n1c(nc3c1cccc3)c1ccccn1)cccc2
Properties
Complexity:
797
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
540.206g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
540.63g/mol
Monoisotopic Mass:
540.206g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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