(5-benzoylnaphthalen-1-yl)(phenyl)methanone

• ChemBase ID: 106873
• Molecular Formular: C24H16O2
• Molecular Mass: 336.38264
• Monoisotopic Mass: 336.11502975
• SMILES: O=C(c1ccccc1)c1cccc2c1cccc2C(=O)c1ccccc1
• Canonical SMILES: O=C(c1cccc2c1cccc2C(=O)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H16O2/c25-23(17-9-3-1-4-10-17)21-15-7-14-20-19(21)13-8-16-22(20)24(26)18-11-5-2-6-12-18/h1-16H
• InChIKey: OOSBCICQIJKSIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-benzoylnaphthalen-1-yl)(phenyl)methanone
• IUPAC Traditional name: (5-benzoylnaphthalen-1-yl)(phenyl)methanone
• Synonyms: 1,5-DIBENZOYLNAPHTHALENE

Database IDs

• CAS Number: 83-80-7
• EC Number: 201-502-4
• PubChem SID: 162087719
• PubChem CID: 66525

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.8814287
• LogD (pH = 7.4): 5.8814287
• Log P: 5.8814287
• Molar Refractivity: 103.6592 cm^3
• Polarizability: 41.286915 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05201716

MP Biomedicals Rare Chemical collection