chempirical

(SP-5-41)-[1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(3-phenyl-1H-inden-1-ylidene)(tricyclohexylphosphine)ruthenium

C54H69Cl2N2PRuCAS 536724-67-1949.10 g/mol

Open in Covalent MOL file
NNRuClClP
AlkenePhosphineTertiary amine

Properties

Molecular formula
C54H69Cl2N2PRu
Molar mass
949.10 g/mol
Exact mass
948.3619 Da
logP
15.55Crippen estimate
Polar surface area
6.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
536724-67-1
SMILES
CC1=CC(=C(C(=C1)C)N2CCN(C2=[Ru](=C3C=C(C4=CC=CC=C43)C5=CC=CC=C5)(Cl)Cl)C6=C(C=C(C=C6C)C)C)C.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3
InChIKey
MCNUJWCJGIGFBS-UHFFFAOYSA-L
InChI
InChI=1S/C21H26N2.C18H33P.C15H10.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;/h9-12H,7-8H2,1-6H3;16-18H,1-15H2;1-9,11H;2*1H;/q-2;;-2;;;+6/p-2

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Names and synonyms

7 names
  • Ruthenium, [1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(3-phenyl-1H-inden-1-ylidene)(tricyclohexylphosphine)-, (SP-5-41)-
  • Umicore M 2
  • [1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro-(3-phenyl-1H-inden-1-ylidene)(tricyclohexylphosphine)ruthenium(II)
  • Neolyst M 2
  • Tricyclohexylphosphine(3-phenyl-1H-inden-1-ylidene)[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene]ruthenium(II) dichloride
  • Umicore 2
  • Grubbs umicore M2 catalyst

Work with (SP-5-41)-[1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(3-phenyl-1H-inden-1-ylidene)(tricyclohexylphosphine)ruthenium

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

Grubbs second generation catalyst246047-72-363 % similar (1,3-Bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene)(dichloro)((2-((propan-2-yl)oxy)phenyl)methylidene)ruthenium301224-40-839 % similar

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

Elsewhere

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