N-(3,3-diphenylpropyl)-2-phenylquinazolin-4-amine

• ChemBase ID: 129589
• Molecular Formular: C29H25N3
• Molecular Mass: 415.5289
• Monoisotopic Mass: 415.20484782
• SMILES: c1ccccc1C(c1ccccc1)CCNc1nc(c2ccccc2)nc2c1cccc2
• Canonical SMILES: c1ccc(cc1)c1nc(NCCC(c2ccccc2)c2ccccc2)c2c(n1)cccc2
• InChI: InChI=1S/C29H25N3/c1-4-12-22(13-5-1)25(23-14-6-2-7-15-23)20-21-30-29-26-18-10-11-19-27(26)31-28(32-29)24-16-8-3-9-17-24/h1-19,25H,20-21H2,(H,30,31,32)
• InChIKey: HQPGYRVHOIKOIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,3-diphenylpropyl)-2-phenylquinazolin-4-amine
• IUPAC Traditional name: N-(3,3-diphenylpropyl)-2-phenylquinazolin-4-amine
• Synonyms: SoRI-20041

Database IDs

• PubChem SID: 162223879
• PubChem CID: 44310972
• Wikipedia Title: SoRI-20041

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 7.720848
• LogD (pH = 7.4): 7.852522
• Log P: 7.854491
• Molar Refractivity: 143.3311 cm^3
• Polarizability: 52.329754 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false