3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]phenol

• ChemBase ID: 232895
• Molecular Formular: C33H24N2O
• Molecular Mass: 464.55646
• Monoisotopic Mass: 464.1888634
• SMILES: n1c(c([nH]c1c1cc(O)ccc1)c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: Oc1cccc(c1)c1nc(c([nH]1)c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C33H24N2O/c36-30-13-7-12-29(22-30)33-34-31(27-18-14-25(15-19-27)23-8-3-1-4-9-23)32(35-33)28-20-16-26(17-21-28)24-10-5-2-6-11-24/h1-22,36H,(H,34,35)
• InChIKey: JTVSGRFYVCXWNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]phenol
• IUPAC Traditional name: 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]phenol
• Synonyms: 3-(4,5-Bis-biphenyl-4-yl-1H-imidazol-2-yl)-phenol

Database IDs

• MDL Number: MFCD01142551
• PubChem SID: 164288805
• PubChem CID: 2259222

CALCULATED PROPERTIES

• Acid pKa: 9.531224
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 8.382273
• LogD (pH = 7.4): 8.46631
• Log P: 8.470734
• Molar Refractivity: 156.1456 cm^3
• Polarizability: 62.41683 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 8.965

Product Information

• Purity: 95%