palladium(1+) ion 1-(2-chloro-1-ferrio-1$l^{3},2$l^{3}-trichloran-1-yl)diphosphanide pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne tridecahydrogen

• ChemBase ID: 70649
• Molecular Formular: C35H7Cl4FeP2Pd
• Molecular Mass: 793.454602
• Monoisotopic Mass: 790.7161327
• SMILES: C(#CC#CC#CC#CC#CC#CC#CC#CC#C)C#CC#CC#CC#CC#CC#CC#CC#CC.Cl[Cl](Cl)[Cl]([Fe])[PH-]P.[Pd+]
• Canonical SMILES: P[PH-][Cl]([Cl](Cl)Cl)[Fe].CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.[Pd+]
• InChI: InChI=1S/C35H4.Cl4H2P2.Fe.Pd/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-4(2)3-6-5;;/h1H,2H3;5H2;;/q;;-1;+1
• InChIKey: PLINNICORDSVSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: palladium(1+) ion 1-(2-chloro-1-ferrio-1$l^{3},2$l^{3}-trichloran-1-yl)diphosphanide pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne tridecahydrogen
• IUPAC Traditional name: palladium(1+) ion 1-(2-chloro-1-ferrio-1$l^{3},2$l^{3}-trichloran-1-yl)diphosphanide pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne tridecahydrogen
• Synonyms: 1,1'-Bis(diphenylphosphino)ferrocene-palladium(II)dichloride dichloromethane complex

Database IDs

• CAS Number: 95464-05-4
• MDL Number: MFCD00792899
• PubChem SID: 162036364
• PubChem CID: 0

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.571781
• LogD (pH = 7.4): 8.571781
• Log P: 8.571781
• Molar Refractivity: 151.0812 cm^3
• Polarizability: 46.564632 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%