CAS 95464-05-4|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|palladiu...

General Information

Structure

Molecular Formula

C₃₅H₇Cl₄FeP₂Pd

Molecular Mass

793.454602

Exact Mass

790.7161327

Charge

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

Canonic 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+]

Isomeric 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+]

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

8.571781

LogD (pH = 7.4)

8.571781

Log P

8.571781

Molar Refractivity

151.0812

Polarizability

46.564632

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Matrix Scientific

076219

Academic Data

PubChem

Data Source

Names and Identifiers

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

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

Synonyms

1,1'-Bis(diphenylphosphino)ferrocene-palladium(II)dichloride dichloromethane complex

Names and Identifiers

Registration numbers

PubChem SID

162036364

MDL Number

MFCD00792899

CAS Number

95464-05-4

PubChem CID

Registration numbers