λ2-iron(2+) ion bis(3-(di-tert-butylphosphanyl)cyclopenta-2,4-dien-1-ide) diiodopalladium

• ChemBase ID: 295072
• Molecular Formular: C26H44FeI2P2Pd
• Molecular Mass: 834.649022
• Monoisotopic Mass: 833.93919417
• SMILES: CC(C)(C)P(C1=C[CH-]C=C1)C(C)(C)C.C1(=C[CH-]C=C1)P(C(C)(C)C)C(C)(C)C.[Fe+2].[Pd](I)I
• Canonical SMILES: CC(P(C(C)(C)C)C1=C[CH-]C=C1)(C)C.CC(P(C(C)(C)C)C1=C[CH-]C=C1)(C)C.I[Pd]I.[Fe+2]
• InChI: InChI=1S/2C13H22P.Fe.2HI.Pd/c2*1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;;;;/h2*7-10H,1-6H3;;2*1H;/q2*-1;+2;;;+2/p-2
• InChIKey: IJWIEACEBFPSMA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-iron(2+) ion bis(3-(di-tert-butylphosphanyl)cyclopenta-2,4-dien-1-ide) diiodopalladium
• IUPAC Traditional name: λ^2-iron(2+) ion bis(3-(di-tert-butylphosphanyl)cyclopenta-2,4-dien-1-ide) diiodopalladium
• Synonyms: PdI2(dtbpf); [1,1'-Bis(di-tert-butylphosphino)ferrocene]diiodopalladium(II); Diiodo[1,1'-bis(di-tert-butylphosphino)ferrocene]palladium(II)

Database IDs

• PubChem SID: 180680603
• PubChem CID: 73994983

CALCULATED PROPERTIES

• Acid pKa: 15.966046
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.147013
• LogD (pH = 7.4): 2.145428
• Log P: 3.6122
• Molar Refractivity: 65.3359 cm^3
• Polarizability: 26.208088 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Crystalline solid

Safety Information

• Storage Warning: Light Sensitive
• TSCA Listed: 否

Product Information

• Purity: Pd 12.8%