6-benzyl-5,9-dimethyl-3-(4-phenylphenyl)-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 188367
• Molecular Formular: C32H24O3
• Molecular Mass: 456.53116
• Monoisotopic Mass: 456.17254463
• SMILES: c12c(c(c(c(=O)o1)Cc1ccccc1)C)cc1c(c2C)occ1c1ccc(cc1)c1ccccc1
• Canonical SMILES: Cc1c2occ(c2cc2c1oc(=O)c(c2C)Cc1ccccc1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C32H24O3/c1-20-26-18-28-29(25-15-13-24(14-16-25)23-11-7-4-8-12-23)19-34-30(28)21(2)31(26)35-32(33)27(20)17-22-9-5-3-6-10-22/h3-16,18-19H,17H2,1-2H3
• InChIKey: OWJVVLXKNUEZOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-benzyl-5,9-dimethyl-3-(4-phenylphenyl)-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 6-benzyl-5,9-dimethyl-3-(4-phenylphenyl)furo[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164244277
• PubChem CID: 1780993

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 8.023673
• LogD (pH = 7.4): 8.023673
• Log P: 8.023673
• Molar Refractivity: 139.0384 cm^3
• Polarizability: 57.278755 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds