1,3,5-Tris(1-phenyl-1H-benzimidazol-2-yl)benzene CAS NO.192198-85-9

1. Introduction of1,3,5-Tris(1-phenyl-1H-benzimidazol-2-yl)benzene The 1,3,5-Tris(1-phenyl-1H-benzimidazol-2-yl)benzene, with i…

1. Introduction of 1,3,5-Tris(1-phenyl-1H-benzimidazol-2-yl)benzene

 

The 1,3,5-Tris(1-phenyl-1H-benzimidazol-2-yl)benzene, with its CAS NO 192198-85-9, is a kind of yellow powder. It has synonyms of 1,3,5-Tris(N-phenylbenzimidazol-2-yl)benzene;2,2',2''-(1,3,5-Benzenetriyl)tris[1-phenyl-1H-benzimidazole];2,2',2''-(1,3,5-Phenylene)tris(1-phenyl-1H-benzimidazole) and TPBi.

 

2. Properties of 1,3,5-Tris(1-phenyl-1H-benzimidazol-2-yl)benzene

 

Molecular Weight 654.7599 [g/mol]
Molecular Formula C45H30N6
XLogP3-AA 10.4
H-Bond Acceptor 3
Rotatable Bond Count 6
Exact Mass 654.253195
MonoIsotopic Mass 654.253195
Topological Polar Surface Area 53.5
Heavy Atom Count 51
Complexity 980 
Covalently-Bonded Unit Count 1

 

3. Structure descriptors of 1,3,5-Tris(1-phenyl-1H-benzimidazol-2-yl)benzene

 

IUPAC Name: 2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole

InChI: InChI=1S/C45H30N6/c1-4-16-34(17-5-1)49-40-25-13-10-22-37(40)46-43(49)31-
28-32(44-47-38-23-11-14-26-41(38)50(44)35-18-6-2-7-19-35)30-33(29-31)45-
48-39-24-12-15-27-42(39)51(45)36-20-8-3-9-21-36/h1-30H

InChIKey: GEQBRULPNIVQPP-UHFFFAOYSA-N

Canonical SMILES : C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC(=CC(=C4)C5=NC6=CC=CC=C6N5C7=CC=CC=
C7)C8=NC9=CC=CC=C9N8C1=CC=CC=C1