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

Name
1,3,5-Tris(1-phenyl-1H-benzimidazol-2-yl)benzene
EINECS 1312995-182-4
CAS No. 192198-85-9
Article Data5
CAS DataBase
Density 1.267 g/cm³
Solubility
Melting Point 272-277°C
Formula C₄₅H₃₀N₆
Boiling Point
Molecular Weight 654.773
Flash Point
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 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);TPBi;
PSA 53.46000
LogP 10.70430

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

The 1,3,5-Tris(1-phenyl-1H-benzimidazol-2-yl)benzene, with the CAS registry number 192198-85-9, has the systematic name of 2,2',2''-benzene-1,3,5-triyltris(1-phenyl-1H-benzimidazole). It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₄₅H₃₀N₆.

The characteristics of 1,3,5-Tris(1-phenyl-1H-benzimidazol-2-yl)benzene are as followings: (1)ACD/LogP: 13.10; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 15; (4)ACD/LogD (pH 7.4): 15; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 53.46 ?2; (13)Index of Refraction: 1.727; (14)Molar Refractivity: 205.484 cm3; (15)Molar Volume: 516.593 cm3; (16)Polarizability: 81.46 10-24cm3; (17)Surface Tension: 54.797 dyne/cm; (18)Density: 1.267 g/cm3.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cccc2nc(n(c12)c3ccccc3)c4cc(cc(c4)c6nc7ccccc7n6c5ccccc5)c9nc%10ccccc%10n9c8ccccc8
(2)InChI: InChI=1/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
(3)InChIKey: GEQBRULPNIVQPP-UHFFFAOYAJ

Product Name

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

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

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