CAS 192198-85-9 | 1H-Benzimidazole, 2,2',2''-(1,3,5-benzenetriyl)tris[1-phenyl- | CAS Number 192198-85-9

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192198-85-9 | 1H-Benzimidazole, 2,2',2''-(1,3,5-benzenetriyl)tris[1-phenyl-

CAS No: 192198-85-9 Catalog No: AG002FQI MDL No:MFCD08276433

Product Description

Catalog Number:

AG002FQI

Chemical Name:

1H-Benzimidazole, 2,2',2''-(1,3,5-benzenetriyl)tris[1-phenyl-

CAS Number:

192198-85-9

Molecular Formula:

C45H30N6

Molecular Weight:

654.7599

MDL Number:

MFCD08276433

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

InChI Key:

GEQBRULPNIVQPP-UHFFFAOYSA-N

SMILES:

c1ccc(cc1)n1c(nc2c1cccc2)c1cc(cc(c1)c1nc2c(n1c1ccccc1)cccc2)c1nc2c(n1c1ccccc1)cccc2

Properties

Complexity:

980

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

654.253g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

654.777g/mol

Monoisotopic Mass:

654.253g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

10.4

Literature

Title	Journal
Starburst triarylamine donor-acceptor-donor quadrupolar derivatives based on cyano-substituted diphenylaminestyrylbenzene: tunable aggregation-induced emission colors and large two-photon absorption cross sections.	Chemistry (Weinheim an der Bergstrasse, Germany) 20110225
1,3,5-Tris(N-phenyl-benzimidazol-2-yl)benzene methanol solvate.	Acta crystallographica. Section E, Structure reports online 20091001
Optimization of high-performance blue organic light-emitting diodes containing tetraphenylsilane molecular glass materials.	Journal of the American Chemical Society 20020605
Light-emitting carbazole derivatives: potential electroluminescent materials.	Journal of the American Chemical Society 20010926