copper(1+); [(diphenylphosphanylamino)-phenyl-phosphanyl]benzene; ethanenitrile; ditetrafluoroborate

Systemtic Name: copper(1+); [(diphenylphosphanylamino)-phenyl-phosphanyl]benzene; ethanenitrile; ditetrafluoroborate Openeye Name: dicuprous; acetonitrile; [(diphenylphosphanylamino)-phenyl-phosphanyl]benzene; ditetrafluoroborate CAS Name: acetonitrile; copper(1+); [(diphenylphosphinoamino)-phenylphosphino]benzene; ditetrafluoroborate IUPAC Name: acetonitrile; copper(1+); [(diphenylphosphanylamino)-phenylphosphanyl]benzene; ditetrafluoroborate Traditional Name: dicuprous; acetonitrile; bis(diphenylphosphino)amine; ditetrafluoroborate Formula: C52H48B2Cu2F8N4P4 MolecularWeight: 1153.56059

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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)P(C2=CC=CC=C2)NP(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(C2=CC=CC=C2)NP(C3=CC=CC=C3)C4=CC=CC=C4.[Cu+].[Cu+]

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC#N.CC#N.C1=CC=C(C=C1)P(C2=CC=CC=C2)NP(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(C2=CC=CC=C2)NP(C3=CC=CC=C3)C4=CC=CC=C4.[Cu+].[Cu+]

InChI

InChI=1S/2C24H21NP2.2C2H3N.2BF4.2Cu/c2*1-5-13-21(14-6-1)26(22-15-7-2-8-16-22)25-27(23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-2-3;2*2-1(3,4)5;;/h2*1-20,25H;2*1H3;;;;/q;;;;2*-1;2*+1