[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane; ethanenitrile; palladium(2+); ditetrafluoroborate

Systemtic Name: [1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane; ethanenitrile; palladium(2+); ditetrafluoroborate Openeye Name: acetonitrile; [1-[2-(bis-p-tolylphosphanyl)-1-naphthyl]-2-naphthyl]-bis(p-tolyl)phosphane; palladium(2+); ditetrafluoroborate CAS Name: acetonitrile; [1-[2-bis(4-methylphenyl)phosphino-1-naphthalenyl]-2-naphthalenyl]-bis(4-methylphenyl)phosphine; palladium(2+); ditetrafluoroborate IUPAC Name: acetonitrile; [1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane; palladium(2+); ditetrafluoroborate Traditional Name: acetonitrile; [1-[2-(bis-p-tolylphosphino)-1-naphthyl]-2-naphthyl]-bis(p-tolyl)phosphine; palladium(2+); ditetrafluoroborate Formula: C52H46B2F8N2P2Pd MolecularWeight: 1040.911788

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC#N.CC#N.CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=C(C=C7)C)C8=CC=C(C=C8)C.[Pd+2]

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC#N.CC#N.CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=C(C=C7)C)C8=CC=C(C=C8)C.[Pd+2]

InChI

InChI=1S/C48H40P2.2C2H3N.2BF4.Pd/c1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-42;2*1-2-3;2*2-1(3,4)5;/h5-32H,1-4H3;2*1H3;;;/q;;;2*-1;+2