benzenecarbonitrile; 3-diphenylphosphanylpropyl(diphenyl)phosphane; palladium(2+); ditetrafluoroborate

Systemtic Name: benzenecarbonitrile; 3-diphenylphosphanylpropyl(diphenyl)phosphane; palladium(2+); ditetrafluoroborate Openeye Name: benzonitrile; 3-diphenylphosphanylpropyl(diphenyl)phosphane; palladium(2+); ditetrafluoroborate CAS Name: benzonitrile; 3-diphenylphosphinopropyl(diphenyl)phosphine; palladium(2+); ditetrafluoroborate IUPAC Name: benzonitrile; 3-diphenylphosphanylpropyl(diphenyl)phosphane; palladium(2+); ditetrafluoroborate Traditional Name: benzonitrile; 3-diphenylphosphinopropyl(diphenyl)phosphine; palladium(2+); ditetrafluoroborate Formula: C41H36B2F8N2P2Pd MolecularWeight: 898.714688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26P2.2C7H5N.2BF4.Pd/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;2*8-6-7-4-2-1-3-5-7;2*2-1(3,4)5;/h1-12,14-21H,13,22-23H2;2*1-5H;;;/q;;;2*-1;+2