(3,5-dibenzoylphenyl)(phenyl)methanone

• ChemBase ID: 112046
• Molecular Formular: C27H18O3
• Molecular Mass: 390.43002
• Monoisotopic Mass: 390.12559444
• SMILES: O=C(c1ccccc1)c1cc(cc(c1)C(=O)c1ccccc1)C(=O)c1ccccc1
• Canonical SMILES: O=C(c1ccccc1)c1cc(cc(c1)C(=O)c1ccccc1)C(=O)c1ccccc1
• InChI: InChI=1S/C27H18O3/c28-25(19-10-4-1-5-11-19)22-16-23(26(29)20-12-6-2-7-13-20)18-24(17-22)27(30)21-14-8-3-9-15-21/h1-18H
• InChIKey: FDSRSUAVHPFWGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,5-dibenzoylphenyl)(phenyl)methanone
• IUPAC Traditional name: (3,5-dibenzoylphenyl)(phenyl)methanone
• Synonyms: 1,3,5-TRIBENZOYL BENZENE; 1,3,5-Tribenzoylbenzene; 1,3,5-三苯酰基苯

Database IDs

• CAS Number: 25871-69-6
• MDL Number: MFCD00016577
• Beilstein Number: 1891480
• PubChem SID: 162106566
• PubChem CID: 141248

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.351305
• LogD (pH = 7.4): 6.351305
• Log P: 6.351305
• Molar Refractivity: 117.7845 cm^3
• Polarizability: 45.32691 Å^3
• Polar Surface Area: 51.21 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 114-121°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 96%

DETAILS

MP Biomedicals - 05222330

MP Biomedicals Rare Chemical collection