Palladium, [1,1′-bis(diphenylphosphino-κP)ferrocene]dichloro-, (sp-4-2)-, compd. with 2-propanone (1:1)

C₃₇H₃₄Cl₂FeOP₂PdCAS 851232-71-8789.79 g/mol

Open in Covalent MOL file

Ketone Phosphine

Properties

Molecular formula: C₃₇H₃₄Cl₂FeOP₂Pd
Molar mass: 789.79 g/mol
Exact mass: 787.9846 Da
logP: 0.93Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 6

Identifiers

CAS number

851232-71-8

SMILES

CC(C)=O.[Cl-].[Cl-].[Fe+2].[Pd+2].c1ccc(P(c2ccccc2)c2ccc[cH-]2)cc1.c1ccc(P(c2ccccc2)c2ccc[cH-]2)cc1

InChIKey

GEBDYEZLKPWQFE-UHFFFAOYSA-L

InChI

InChI=1S/2C17H14P.C3H6O.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;1-3(2)4;;;;/h2*1-14H;1-2H3;2*1H;;/q2*-1;;;;2*+2/p-2

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Work with Palladium, [1,1′-bis(diphenylphosphino-κP)ferrocene]dichloro-, (sp-4-2)-, compd. with 2-propanone (1:1)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(1,1'-Bis(diphenylphosphino)ferrocene)palladium(II) dichloride72287-26-477 % similar Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane adduct95464-05-467 % similar Dichloro[ferrocene-1,1′-diylbis(diphenylphosphine-P)]cobalt(II)67292-36-864 % similar 1,1'-Bis(diphenylphosphino)ferrocene12150-46-862 % similar (Sp-4-2)-[1,1′-bis[bis(1-methylethyl)phosphino-κP]ferrocene]dichloropalladium215788-65-149 % similar Bis(triphenylphosphine)palladium chloride13965-03-243 % similar Bis(triphenylphosphine)palladium diacetate14588-08-040 % similar Chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium32993-05-835 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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