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

• ChemBase编号: 125067
• 分子式: C34H28Cl2FeP2Pd
• 平均质量: 731.704642
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: palladium(2+) ion λ^2-iron(2+) ion bis(2-(diphenylphosphanyl)cyclopenta-2,4-dien-1-ide) dichloride
• IUPAC传统名: palladium(2+) ion λ^2-iron(2+) ion bis(2-(diphenylphosphanyl)cyclopenta-2,4-dien-1-ide) dichloride
• 别名: (1,1'-Bis(diphenylphosphino)ferrocene)palladium(II) dichloride

登记号

• CAS号: 72287-26-4
• PubChem SID: 162219417
• PubChem CID: 71308128
• Chemspider ID: 24602493
• 维基百科标题: (1,1'-Bis(diphenylphosphino)ferrocene)palladium(II)_dichloride

理论计算性质

• LogD (pH = 5.5): 3.6359
• Acid pKa: 13.126507
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 7.4): 3.6358993
• Log P: 5.1634
• 摩尔折射率: 77.2799 cm^3
• 极化性: 30.72884 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false