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39823-31-9 | 1,3-Bis(1-phenyl-1H-benzo[d]imidazol-2-yl)benzene
CAS No: 39823-31-9 Catalog No: AG00773M MDL No:MFCD23135299
Product Description
Catalog Number:
AG00773M
Chemical Name:
1,3-Bis(1-phenyl-1H-benzo[d]imidazol-2-yl)benzene
CAS Number:
39823-31-9
Molecular Formula:
C32H22N4
Molecular Weight:
462.5439
MDL Number:
MFCD23135299
IUPAC Name:
1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
InChI:
InChI=1S/C32H22N4/c1-3-14-25(15-4-1)35-29-20-9-7-18-27(29)33-31(35)23-12-11-13-24(22-23)32-34-28-19-8-10-21-30(28)36(32)26-16-5-2-6-17-26/h1-22H
InChI Key:
DAVNJLZAOBMRAT-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)n1c(nc2c1cccc2)c1cccc(c1)c1nc2c(n1c1ccccc1)cccc2
Properties
Complexity:
657
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462.184g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
462.556g/mol
Monoisotopic Mass:
462.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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