[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methyl-propyl]-diphenyl-phosphane; ethanenitrile; ruthenium(2+); tetraphenylboranuide

Systemtic Name: [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methyl-propyl]-diphenyl-phosphane; ethanenitrile; ruthenium(2+); tetraphenylboranuide Openeye Name: acetonitrile; [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methyl-propyl]-diphenyl-phosphane; ruthenium(2+); tetraphenylboranuide CAS Name: acetonitrile; [3-diphenylphosphino-2-(diphenylphosphinomethyl)-2-methylpropyl]-diphenylphosphine; ruthenium(2+); tetraphenylboranuide IUPAC Name: acetonitrile; [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane; ruthenium(2+); tetraphenylboranuide Traditional Name: acetonitrile; [3-diphenylphosphino-2-(diphenylphosphinomethyl)-2-methyl-propyl]-diphenyl-phosphine; ruthenium(2+); tetraphenylboranuide Formula: C95H88B2N3P3Ru MolecularWeight: 1487.348603

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC#N.CC#N.CC#N.CC(CP(C1=CC=CC=C1)C2=CC=CC=C2)(CP(C3=CC=CC=C3)C4=CC=CC=C4)CP(C5=CC=CC=C5)C6=CC=CC=C6.[Ru+2]

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC#N.CC#N.CC#N.CC(CP(C1=CC=CC=C1)C2=CC=CC=C2)(CP(C3=CC=CC=C3)C4=CC=CC=C4)CP(C5=CC=CC=C5)C6=CC=CC=C6.[Ru+2]

InChI

InChI=1S/C41H39P3.2C24H20B.3C2H3N.Ru/c1-41(32-42(35-20-8-2-9-21-35)36-22-10-3-11-23-36,33-43(37-24-12-4-13-25-37)38-26-14-5-15-27-38)34-44(39-28-16-6-17-29-39)40-30-18-7-19-31-40;2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;3*1-2-3;/h2-31H,32-34H2,1H3;2*1-20H;3*1H3;/q;2*-1;;;;+2