(phenylmethylidene)rutheniumbis(ylium) bis(tricyclohexylphosphane) dichloride

• ChemBase ID: 286751
• Molecular Formular: C43H72Cl2P2Ru
• Molecular Mass: 822.955302
• Monoisotopic Mass: 822.35297992
• SMILES: [Cl-].[Ru+2]=Cc1ccccc1.[Cl-].C1(P(C2CCCCC2)C2CCCCC2)CCCCC1.C1(P(C2CCCCC2)C2CCCCC2)CCCCC1
• Canonical SMILES: C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.[Ru+2]=Cc1ccccc1.[Cl-].[Cl-]
• InChI: InChI=1S/2C18H33P.C7H6.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;;/h2*16-18H,1-15H2;1-6H;2*1H;/q;;;;;+2/p-2
• InChIKey: PNPBGYBHLCEVMK-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (phenylmethylidene)rutheniumbis(ylium) bis(tricyclohexylphosphane) dichloride
• IUPAC Traditional name: (phenylmethylidene)rutheniumbis(ylium) bis(tricyclohexylphosphine) dichloride
• Synonyms: Benzylidenebis(tricyclohexylphosphine)dichlororuthenium

Database IDs

• CAS Number: 172222-30-9
• MDL Number: MFCD01090946
• PubChem SID: 180672282
• PubChem CID: 0

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.93183
• LogD (pH = 7.4): 4.931908
• Log P: 5.1701
• Molar Refractivity: 89.9952 cm^3
• Polarizability: 34.44912 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%