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6143-80-2

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Basic Information
CAS No.: 6143-80-2
Name: 2,2'-BIS(2-CHLOROPHENYL)-4,4',5,5'-TETRAPHENYL-1,2'-BIIMIDAZOLE
Molecular Structure:
Molecular Structure of 6143-80-2 (2,2'-BIS(2-CHLOROPHENYL)-4,4',5,5'-TETRAPHENYL-1,2'-BIIMIDAZOLE)
Formula: C42H28Cl2N4
Molecular Weight: 330.816
Synonyms: Imidazole,2-(o-chlorophenyl)-4,5-diphenyl-, dimer (7CI,8CI);2-o-Chlorophenyl-4,5-diphenylimidazole dimer;
Density: 1.24 g/cm3
Boiling Point: 810.3 °C at 760 mmHg
Flash Point: 443.9 °C
PSA: 42.54000
LogP: 9.71290
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Specification

The 1H-Imidazole, 2-(2-chlorophenyl)-4, 5-diphenyl-, dimer, with the CAS registry number of 6143-80-2, is also known as 2-(2-Chlorophenyl)-4, 5-diphenyl-1H-imidazole-dimer and 2, 2'-Di(2-chlorophenyl)-4, 4', 5, 5'-tetraphenylbisimidazole. This chemical's molecular formula is C42H28Cl2N4 and molecular weight is 659.6. What's more, its systematic name is called 2, 2'-Bis(2-chlorophenyl)-4, 4', 5, 5'-tetraphenyl-2'H-1, 2'-biimidazole.

Physical properties about 1H-Imidazole, 2-(2-chlorophenyl)-4, 5-diphenyl-, dimer are: (1)ACD/LogP: 9.97; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9.96; (4)ACD/LogD (pH 7.4): 9.97; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 6252976.5; (8)ACD/KOC (pH 7.4): 6290084.5; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 42.54 Å2; (13)Index of Refraction: 1.675; (14)Molar Refractivity: 198.57 cm3; (15)Molar Volume: 527.9 cm3; (16)Polarizability: 78.72×10-24 cm3; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.24 g/cm3; (19)Flash Point: 443.9 °C; (20)Enthalpy of Vaporization: 117.8 kJ/mol; (21)Boiling Point: 810.3 °C at 760 mmHg; (22)Vapour Pressure: 2.58E-26 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccccc1C/2(/N=C(\C(=N\2)c3ccccc3)c4ccccc4)n6c(c(nc6c5ccccc5Cl)c7ccccc7)c8ccccc8
(2) InChI: InChI=1/C42H28Cl2N4/c43-35-27-15-13-25-33(35)41-45-39(31-21-9-3-10-22-31)40(32-23-11-4-12-24-32)48(41)42(34-26-14-16-28-36(34)44)46-37(29-17-5-1-6-18-29)38(47-42)30-19-7-2-8-20-30/h1-28H
(3) InChIKey: MHDULSOPQSUKBQ-UHFFFAOYAO