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

• ChemBase ID: 188290
• Molecular Formular: C29H18O3
• Molecular Mass: 414.45142
• Monoisotopic Mass: 414.12559444
• SMILES: c1(c2c(oc(=O)c1)cc1c(c(co1)c1ccc(cc1)c1ccccc1)c2)c1ccccc1
• Canonical SMILES: O=c1oc2cc3occ(c3cc2c(c1)c1ccccc1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C29H18O3/c30-29-16-23(21-9-5-2-6-10-21)24-15-25-26(18-31-27(25)17-28(24)32-29)22-13-11-20(12-14-22)19-7-3-1-4-8-19/h1-18H
• InChIKey: ZHDSKWHIJAUKPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244200
• PubChem CID: 1780918

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.670132
• LogD (pH = 7.4): 6.670132
• Log P: 6.670132
• Molar Refractivity: 134.2148 cm^3
• Polarizability: 51.813988 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