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1831-70-5

Basic Information
CAS No.: 1831-70-5
Name: 2-(2-Methoxyphenyl)-4,5-diphenylimidazole-1,2'-dimer
Molecular Structure:
Molecular Structure of 1831-70-5 (2-(2-Methoxyphenyl)-4,5-diphenylimidazole-1,2'-dimer)
Formula: C44H34N4O2
Molecular Weight: 650.78
Synonyms: 1,1'-Biimidazole,2,2'-bis(o-methoxyphenyl)-4,4',5,5'-tetraphenyl- (7CI);
Density: 1.178 g/cm3
Boiling Point: 824.424 °C at 760 mmHg
Flash Point: 452.395 °C
PSA: 61.00000
LogP: 8.42330
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Specification

The 2-(2-Methoxyphenyl)-4,5-diphenylimidazole-1,2'-dimer, with the CAS registry number 1831-70-5, is also known as 4,5-Diphenyl-2-(2-methoxyphenyl)-1-(2-(2-methoxyphenyl)-4,5-diphenyl-2H-imidazol-2-yl)-1H-imidazole. This chemical's molecular formula is C44H34N4O2 and molecular weight is 650.77. Its systematic name is called 2,2'-bis(2-methoxyphenyl)-4,4',5,5'-tetraphenyl-2'H-1,2'-biimidazole.

Physical properties of 2-(2-Methoxyphenyl)-4,5-diphenylimidazole-1,2'-dimer: (1)ACD/LogP: 8.84; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 8.83; (4)ACD/LogD (pH 7.4): 8.84; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1485539; (8)ACD/KOC (pH 7.4): 1541333.88; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.647; (13)Molar Refractivity: 201 cm3; (14)Molar Volume: 552.6 cm3; (15)Surface Tension: 46.9 dyne/cm; (16)Density: 1.17 g/cm3; (17)Flash Point: 452.4 °C; (18)Enthalpy of Vaporization: 119.82 kJ/mol; (19)Boiling Point: 824.4 °C at 760 mmHg; (20)Vapour Pressure: 2.62E-27 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N\1=C(\C(=N/C/1(c2ccccc2OC)n4c(c(nc4c3ccccc3OC)c5ccccc5)c6ccccc6)c7ccccc7)c8ccccc8
(2)InChI: InChI=1/C44H34N4O2/c1-49-37-29-17-15-27-35(37)43-45-41(33-23-11-5-12-24-33)42(34-25-13-6-14-26-34)48(43)44(36-28-16-18-30-38(36)50-2)46-39(31-19-7-3-8-20-31)40(47-44)32-21-9-4-10-22-32/h3-30H,1-2H3
(3)InChIKey: VYQXQPVJLFTJQI-UHFFFAOYAK