chempirical

Dichlorotris(triphenylphosphine)ruthenium(II)

C54H45Cl2P3RuCAS 15529-49-4958.85 g/mol

Open in Covalent MOL file
Cl−Cl−Ru2+PPP
Phosphine

Properties

Molecular formula
C54H45Cl2P3Ru
Molar mass
958.85 g/mol
Exact mass
958.1155 Da
logP
4.34Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
9

Identifiers

CAS number
15529-49-4
SMILES
[Cl-].[Cl-].[Ru+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIKey
WIWBLJMBLGWSIN-UHFFFAOYSA-L
InChI
InChI=1S/3C18H15P.2ClH.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h3*1-15H;2*1H;/q;;;;;+2/p-2

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Names and synonyms

6 names
  • Ruthenium, dichlorotris(triphenylphosphine)-
  • Dichlorotris(triphenylphosphine)ruthenium
  • Tris(triphenylphosphine)ruthenium dichloride
  • Tris(triphenylphosphine)ruthenium(II) dichloride
  • Ruthenium tris(triphenylphosphine) dichloride
  • Tris(triphenylphosphine)dichlororuthenium

Work with Dichlorotris(triphenylphosphine)ruthenium(II)

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

Bis(triphenylphosphine)palladium chloride13965-03-275 % similar Chloro(triphenylphosphine)gold(I)14243-64-275 % similar Bis(triphenylphosphine)nickel dichloride14264-16-575 % similar Wilkinson'S catalyst14694-95-275 % similar Dicarbonyldichlorobis(triphenylphosphine)ruthenium14564-35-374 % similar Chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium32993-05-874 % similar Triphenylphosphine603-35-071 % similar 1,4-Bis(diphenylphosphino)benzene1179-06-267 % similar

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

Elsewhere

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