2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenyl-2H-imidazol-2-yl]-4,5-diphenyl-1H-imidazole

• ChemBase ID: 798361
• Molecular Formular: C42H28Cl2N4
• Molecular Mass: 659.60452
• Monoisotopic Mass: 658.16910228
• SMILES: n1(c(nc(c1c1ccccc1)c1ccccc1)c1c(cccc1)Cl)C1(N=C(C(=N1)c1ccccc1)c1ccccc1)c1c(cccc1)Cl
• Canonical SMILES: Clc1ccccc1c1nc(c(n1C1(N=C(C(=N1)c1ccccc1)c1ccccc1)c1ccccc1Cl)c1ccccc1)c1ccccc1
• InChI: InChI=1S/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
• InChIKey: MHDULSOPQSUKBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenyl-2H-imidazol-2-yl]-4,5-diphenyl-1H-imidazole
• IUPAC Traditional name: 2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole
• Synonyms: 2,2'-bis(2-chlorophenyl)-4,4',5,5'-tetraphenyl-1,2'-biimidazole

Database IDs

• CAS Number: 7189-82-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 12.624013
• LogD (pH = 7.4): 12.644396
• Log P: 12.644662
• Molar Refractivity: 205.8487 cm^3
• Polarizability: 78.23012 Å^3
• Polar Surface Area: 42.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%