bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one) dipalladium

• ChemBase ID: 180434
• Molecular Formular: C34H28O2Pd2
• Molecular Mass: 681.42492
• Monoisotopic Mass: 680.01590214
• SMILES: C(=C\c1ccccc1)/C(=O)/C=C/c1ccccc1.C(=C\c1ccccc1)/C(=O)/C=C/c1ccccc1.[Pd].[Pd]
• Canonical SMILES: O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd]
• InChI: InChI=1S/2C17H14O.2Pd/c2*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;/h2*1-14H;;/b2*13-11+,14-12+
• InChIKey: UAIGHKVNUNBRRZ-BACDDGDHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one) dipalladium
• IUPAC Traditional name: bis(dibenzylideneacetone) dipalladium
• Synonyms: Bis(dibenzylideneacetone)dipalladium

Database IDs

• CAS Number: 52409-22-0
• PubChem SID: 164236344
• PubChem CID: 66545394

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.825144
• LogD (pH = 7.4): 4.825144
• Log P: 4.825144
• Molar Refractivity: 77.0272 cm^3
• Polarizability: 28.964622 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false