10-(diphenylmethylidene)-9,10-dihydroanthracen-9-one

• ChemBase ID: 138181
• Molecular Formular: C27H18O
• Molecular Mass: 358.43122
• Monoisotopic Mass: 358.1357652
• SMILES: c1ccc(cc1)/C(=C/1\c2ccccc2C(=O)c2c1cccc2)/c1ccccc1
• Canonical SMILES: O=C1c2ccccc2/C(=C(/c2ccccc2)\c2ccccc2)/c2c1cccc2
• InChI: InChI=1S/C27H18O/c28-27-23-17-9-7-15-21(23)26(22-16-8-10-18-24(22)27)25(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-18H
• InChIKey: SPOJSTUMWGMCFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-(diphenylmethylidene)-9,10-dihydroanthracen-9-one
• IUPAC Traditional name: 10-(diphenylmethylidene)anthracen-9-one
• Synonyms: 9-Benzhydrylidene-10-anthrone; 10-Benzhydrylidene-9-anthrone; 9-二苯亚甲基-10-蒽酮; 10-二苯亚甲基-9-蒽酮

Database IDs

• CAS Number: 667-91-4
• MDL Number: MFCD00019172
• PubChem SID: 162232439
• PubChem CID: 69586

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.6655912
• LogD (pH = 7.4): 6.6655912
• Log P: 6.6655912
• Molar Refractivity: 133.1357 cm^3
• Polarizability: 44.171654 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C27H18O