2,5-diphenyl-2,3-dihydro-1H-isoindole-1,3-dione

• ChemBase ID: 108679
• Molecular Formular: C20H13NO2
• Molecular Mass: 299.32272
• Monoisotopic Mass: 299.09462866
• SMILES: O=C1N(C(=O)c2c1ccc(c2)c1ccccc1)c1ccccc1
• Canonical SMILES: O=C1c2ccc(cc2C(=O)N1c1ccccc1)c1ccccc1
• InChI: InChI=1S/C20H13NO2/c22-19-17-12-11-15(14-7-3-1-4-8-14)13-18(17)20(23)21(19)16-9-5-2-6-10-16/h1-13H
• InChIKey: YHLROSXXDTWHBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-diphenyl-2,3-dihydro-1H-isoindole-1,3-dione
• IUPAC Traditional name: 2,5-diphenylisoindole-1,3-dione
• Synonyms: N-(4-DIPHENYL)-PHTHALIMIDE

Database IDs

• PubChem SID: 162106214
• PubChem CID: 16490144

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.222283
• LogD (pH = 7.4): 4.222283
• Log P: 4.222283
• Molar Refractivity: 89.1253 cm^3
• Polarizability: 35.092945 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05208294

MP Biomedicals Rare Chemical collection