8-benzyl-4,9-dimethyl-3-(4-phenylphenyl)-7H-furo[2,3-f]chromen-7-one

• ChemBase ID: 198155
• Molecular Formular: C32H24O3
• Molecular Mass: 456.53116
• Monoisotopic Mass: 456.17254463
• SMILES: c1(c2c3c(c(co3)c3ccc(cc3)c3ccccc3)c(cc2oc(=O)c1Cc1ccccc1)C)C
• Canonical SMILES: Cc1cc2oc(=O)c(c(c2c2c1c(co2)c1ccc(cc1)c1ccccc1)C)Cc1ccccc1
• InChI: InChI=1S/C32H24O3/c1-20-17-28-30(21(2)26(32(33)35-28)18-22-9-5-3-6-10-22)31-29(20)27(19-34-31)25-15-13-24(14-16-25)23-11-7-4-8-12-23/h3-17,19H,18H2,1-2H3
• InChIKey: NAWUYCZIOISGHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-benzyl-4,9-dimethyl-3-(4-phenylphenyl)-7H-furo[2,3-f]chromen-7-one
• IUPAC Traditional name: 8-benzyl-4,9-dimethyl-3-(4-phenylphenyl)furo[2,3-f]chromen-7-one

Database IDs

• PubChem SID: 164254065
• PubChem CID: 1752568

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: 57.280167 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