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100486-97-3

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Basic Information
CAS No.: 100486-97-3
Name: 2,2',4-Tris(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4',5'-diphenyl-1,1'-biimidazole
Molecular Structure:
Molecular Structure of 100486-97-3 (2,2',4-Tris(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4',5'-diphenyl-1,1'-biimidazole)
Formula: C44H31Cl3N4O2
Molecular Weight: 754.115
Synonyms: 5-(3,4-Dimethoxyphenyl)-4',5'-diphenyl-2,2',4'-tris(2-chlorophenyl)-1,1'-bi-1H-imidazole;
EINECS: 1312995-182-4
Density: 1.298 g/cm3
Melting Point: 127-140 °C
Boiling Point: 855.196 °C at 760 mmHg
Flash Point: 471.006 °C
Appearance: Yellow powder
PSA: 54.10000
LogP: 12.37040
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Specification

This chemical is called 2,2',4-Tris(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4',5'-diphenyl-1,1'-biimidazole, and its IUPAC name is 2,4-bis(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]-5-(3,4-dimethoxyphenyl)imidazole. With the molecular formula of C44H31Cl3N4O2, its molecular weight is 754.10. The CAS registry number of this chemical is 100486-97-3, and its product category is Industrial/Fine Chemicals. 

Other characteristics of the 2,2',4-Tris(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4',5'-diphenyl-1,1'-biimidazole can be summarised as followings: (1)ACD/LogP: 11.49; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 11.49; (4)ACD/LogD (pH 7.4): 11.49; (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: 9; (12)Polar Surface Area: 54.1 Å2; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 215.17 cm3; (15)Molar Volume: 581 cm3; (16)Polarizability: 85.3×10-24cm3; (17)Surface Tension: 48.3 dyne/cm; (18)Density: 1.29 g/cm3; (19)Flash Point: 471 °C; (20)Enthalpy of Vaporization: 124.27 kJ/mol; (21)Boiling Point: 855.2 °C at 760 mmHg; (22)Vapour Pressure: 1.42E-29 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Clc1ccccc1c8nc(c2ccccc2)c(c3ccccc3)n8n5c(c(nc5c4c(Cl)cccc4)c6ccccc6Cl)c7ccc(OC)c(OC)c7
2.InChI: InChI=1/C44H31Cl3N4O2/c1-52-37-26-25-30(27-38(37)53-2)42-40(31-19-9-12-22-34(31)45)49-44(33-21-11-14-24-36(33)47)51(42)50-41(29-17-7-4-8-18-29)39(28-15-5-3-6-16-28)48-43(50)32-20-10-13-23-35(32)46/h3-27H,1-2H3