bis(4-phenylphenyl)ethane-1,2-dione

• ChemBase ID: 232994
• Molecular Formular: C26H18O2
• Molecular Mass: 362.41992
• Monoisotopic Mass: 362.13067982
• SMILES: C(=O)(C(=O)c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: O=C(C(=O)c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C26H18O2/c27-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)26(28)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H
• InChIKey: GLGSKPXEIKBTOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(4-phenylphenyl)ethane-1,2-dione
• IUPAC Traditional name: bis(4-phenylphenyl)ethane-1,2-dione
• Synonyms: 1,2-di-1,1'-biphenyl-4-ylethane-1,2-dione

Database IDs

• CAS Number: 4746-80-9
• MDL Number: MFCD01142538
• PubChem SID: 164288904
• PubChem CID: 275040

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.5391774
• LogD (pH = 7.4): 6.5391774
• Log P: 6.5391774
• Molar Refractivity: 112.3452 cm^3
• Polarizability: 45.839233 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 7.156

Product Information

• Purity: 95%