9-methyl-5-phenyl-3-(4-phenylphenyl)-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 188330
• Molecular Formular: C30H20O3
• Molecular Mass: 428.478
• Monoisotopic Mass: 428.1412445
• SMILES: c12c(c(c3c(c(co3)c3ccc(cc3)c3ccccc3)c2)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: O=c1oc2c(C)c3occ(c3cc2c(c1)c1ccccc1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C30H20O3/c1-19-29-26(16-25-24(17-28(31)33-30(19)25)22-10-6-3-7-11-22)27(18-32-29)23-14-12-21(13-15-23)20-8-4-2-5-9-20/h2-18H,1H3
• InChIKey: MFZBIZIKRDFKKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244240
• PubChem CID: 1780950

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.1835537
• LogD (pH = 7.4): 7.1835537
• Log P: 7.1835537
• Molar Refractivity: 139.256 cm^3
• Polarizability: 53.577583 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds