N,N-bis(diphenylphosphanylmethyl)aniline; ethanenitrile; palladium(2+); ditetrafluoroborate

Systemtic Name: N,N-bis(diphenylphosphanylmethyl)aniline; ethanenitrile; palladium(2+); ditetrafluoroborate Openeye Name: acetonitrile; N,N-bis(diphenylphosphanylmethyl)aniline; palladium(2+); ditetrafluoroborate CAS Name: acetonitrile; N,N-bis(diphenylphosphinomethyl)aniline; palladium(2+); ditetrafluoroborate IUPAC Name: acetonitrile; N,N-bis(diphenylphosphanylmethyl)aniline; palladium(2+); ditetrafluoroborate Traditional Name: acetonitrile; bis(diphenylphosphinomethyl)-phenyl-amine; palladium(2+); ditetrafluoroborate Formula: C36H35B2F8N3P2Pd MolecularWeight: 851.659948

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC#N.CC#N.C1=CC=C(C=C1)N(CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5.[Pd+2]

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC#N.CC#N.C1=CC=C(C=C1)N(CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5.[Pd+2]

InChI

InChI=1S/C32H29NP2.2C2H3N.2BF4.Pd/c1-6-16-28(17-7-1)33(26-34(29-18-8-2-9-19-29)30-20-10-3-11-21-30)27-35(31-22-12-4-13-23-31)32-24-14-5-15-25-32;2*1-2-3;2*2-1(3,4)5;/h1-25H,26-27H2;2*1H3;;;/q;;;2*-1;+2