2-[2-(2-oxo-1,2-diphenylethylidene)hydrazin-1-ylidene]-1,2-diphenylethan-1-one

• ChemBase ID: 109179
• Molecular Formular: C28H20N2O2
• Molecular Mass: 416.4706
• Monoisotopic Mass: 416.15247789
• SMILES: O=C(c1ccccc1)/C(=N/N=C(/C(=O)c1ccccc1)\c1ccccc1)/c1ccccc1
• Canonical SMILES: O=C(/C(=N/N=C(/C(=O)c1ccccc1)\c1ccccc1)/c1ccccc1)c1ccccc1
• InChI: InChI=1S/C28H20N2O2/c31-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)29-30-26(22-15-7-2-8-16-22)28(32)24-19-11-4-12-20-24/h1-20H
• InChIKey: KTIVNHNHGQMXFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2-oxo-1,2-diphenylethylidene)hydrazin-1-ylidene]-1,2-diphenylethan-1-one
• IUPAC Traditional name: 2-[2-(2-oxo-1,2-diphenylethylidene)hydrazin-1-ylidene]-1,2-diphenylethanone
• Synonyms: BENZILAZINE

Database IDs

• PubChem SID: 162106249
• PubChem CID: 6382162

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.558215
• LogD (pH = 7.4): 6.558215
• Log P: 6.558215
• Molar Refractivity: 126.6598 cm^3
• Polarizability: 48.041832 Å^3
• Polar Surface Area: 58.86 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05210128

MP Biomedicals Rare Chemical collection