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

C₄₅H₃₀N₆CAS 192198-85-9654.78 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄₅H₃₀N₆
Molar mass: 654.78 g/mol
Exact mass: 654.2532 Da
logP: 10.70Crippen estimate
Polar surface area: 53.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

192198-85-9

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

InChIKey

GEQBRULPNIVQPP-UHFFFAOYSA-N

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

Weigh it out

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Names and synonyms

1 names

1,3,5-Tris(phenyl-2-benzimidazolyl)-benzene

Work with 1,3,5-Tris(1-phenyl-1H-benzimidazol-2-yl)benzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(4-Bromophenyl)-1-phenyl-1H-benzo(d)imidazole2620-76-069 % similar 2-(3-Bromophenyl)-1-phenyl-1H-benzimidazole760212-40-668 % similar 1-(4-Bromophenyl)-2-phenyl-1H-benzimidazole760212-58-664 % similar 3-(1-Phenyl-1H-benzo[D]imidazol-2-yl)phenylboronic acid1214723-26-863 % similar [4-(2-Phenyl-1H-benzimidazol-1-yl)phenyl]boronic acid867044-33-559 % similar 2-(4-(9,10-Di-naphthalen-2-yl-anthracen-2-yl)-phenyl)-1-phenyl-1H-benzoimidazole561064-11-756 % similar 9-Phenylcarbazole1150-62-541 % similar 9-([1,1'-Biphenyl]-4-yl)-9'-phenyl-9H,9'H-3,3'-bicarbazole1454567-05-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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