palladium(2+) ion λ2-iron(2+) ion bis(2-(diphenylphosphanyl)cyclopenta-2,4-dien-1-ide) dichloride

• ChemBase ID: 125067
• Molecular Formular: C34H28Cl2FeP2Pd
• Molecular Mass: 731.704642
• Monoisotopic Mass: 729.94275302
• SMILES: c1ccc(cc1)P(c1ccccc1)C1=CC=C[CH-]1.c1ccc(cc1)P(c1ccccc1)C1=CC=C[CH-]1.[Cl-].[Cl-].[Fe+2].[Pd+2]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)C1=CC=C[CH-]1.c1ccc(cc1)P(c1ccccc1)C1=CC=C[CH-]1.[Cl-].[Cl-].[Fe+2].[Pd+2]
• InChI: InChI=1S/2C17H14P.2ClH.Fe.Pd/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;;;;/h2*1-14H;2*1H;;/q2*-1;;;2*+2/p-2
• InChIKey: NXQGGXCHGDYOHB-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: palladium(2+) ion λ^2-iron(2+) ion bis(2-(diphenylphosphanyl)cyclopenta-2,4-dien-1-ide) dichloride
• IUPAC Traditional name: palladium(2+) ion λ^2-iron(2+) ion bis(2-(diphenylphosphanyl)cyclopenta-2,4-dien-1-ide) dichloride
• Synonyms: (1,1'-Bis(diphenylphosphino)ferrocene)palladium(II) dichloride

Database IDs

• CAS Number: 72287-26-4
• PubChem SID: 162219417
• PubChem CID: 71308128
• Chemspider ID: 24602493
• Wikipedia Title: (1,1'-Bis(diphenylphosphino)ferrocene)palladium(II)_dichloride

CALCULATED PROPERTIES

• LogD (pH = 5.5): 3.6359
• Acid pKa: 13.126507
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 7.4): 3.6358993
• Log P: 5.1634
• Molar Refractivity: 77.2799 cm^3
• Polarizability: 30.72884 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false