λ2-ruthenium(2+) ion {1-[2-(diphenylphosphanyl)naphthalen-1-yl]naphthalen-2-yl}diphenylphosphane dichloride

• ChemBase ID: 287673
• Molecular Formular: C44H32Cl2P2Ru
• Molecular Mass: 794.648402
• Monoisotopic Mass: 794.03997864
• SMILES: [Cl-].[Ru+2].[Cl-].c1(c2c3ccccc3ccc2P(c2ccccc2)c2ccccc2)c2ccccc2ccc1P(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)P(c1ccc2c(c1c1c(ccc3c1cccc3)P(c1ccccc1)c1ccccc1)cccc2)c1ccccc1.[Cl-].[Cl-].[Ru+2]
• InChI: InChI=1S/C44H32P2.2ClH.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;;;/h1-32H;2*1H;/q;;;+2/p-2
• InChIKey: YEKBVMDAGDTOQB-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-ruthenium(2+) ion {1-[2-(diphenylphosphanyl)naphthalen-1-yl]naphthalen-2-yl}diphenylphosphane dichloride
• IUPAC Traditional name: λ^2-ruthenium(2+) ion binap dichloride
• Synonyms: Dichloro [(R)-(+)-2,2'-bis(diphenylphosphino)-1,1'-binaphathyl] ruthenium(II)

Database IDs

• CAS Number: 132071-87-5
• MDL Number: MFCD01073794
• PubChem SID: 180673204
• PubChem CID: 10306088

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 11.8554
• LogD (pH = 7.4): 11.8554
• Log P: 11.8554
• Molar Refractivity: 195.2244 cm^3
• Polarizability: 80.66715 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%