chempirical

Vaska'S complex

C37H30ClIrOP2CAS 14871-41-1780.26 g/mol

Open in Covalent MOL file
C−O+Cl−Ir+PP
Phosphine

Properties

Molecular formula
C37H30ClIrOP2
Molar mass
780.26 g/mol
Exact mass
780.1090 Da
logP
3.85Crippen estimate
Polar surface area
19.9 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6

Identifiers

CAS number
14871-41-1
SMILES
[C-]#[O+].[Cl-].[Ir+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIKey
CTCCWDNFEUFLCM-UHFFFAOYSA-M
InChI
InChI=1S/2C18H15P.CO.ClH.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h2*1-15H;;1H;/q;;;;+1/p-1

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Names and synonyms

10 names
  • Iridium, carbonylchlorobis(triphenylphosphine)-
  • Iridium, chlorocarbonylbis(triphenylphosphine)-
  • Carbonylchlorobis(triphenylphosphine)iridium
  • Bis(triphenylphosphine)iridiumcarbonyl chloride
  • Chlorocarbonylbis(triphenylphosphine)iridium
  • Carbonylbis(triphenylphosphine)iridium chloride
  • Bis(triphenylphosphine)chlorocarbonyliridium(I)
  • Bis(triphenylphosphine)carbonylchloroiridium
  • Bis(triphenylphosphine)carbonyliridium chloride
  • NSC 244961

Work with Vaska'S complex

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

Dicarbonyldichlorobis(triphenylphosphine)ruthenium14564-35-381 % similar Bis(triphenylphosphine)rhodium carbonyl chloride13938-94-878 % similar Carbonylchlorohydrotris(triphenylphosphine)ruthenium16971-33-878 % similar Tris(triphenylphosphine)rhodium carbonyl hydride17185-29-467 % similar Bis(triphenylphosphine)palladium chloride13965-03-262 % similar Dichlorotris(triphenylphosphine)ruthenium(II)15529-49-458 % similar Chloro(triphenylphosphine)gold(I)14243-64-256 % similar Bis(triphenylphosphine)nickel dichloride14264-16-556 % similar

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

Elsewhere

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