ethanenitrile; iridium(3+); 6-phenyl-3H-pyridin-3-ide; tetrafluoroborate

Systemtic Name: ethanenitrile; iridium(3+); 6-phenyl-3H-pyridin-3-ide; tetrafluoroborate Openeye Name: acetonitrile; iridium(3+); 6-phenyl-3H-pyridin-3-ide; tetrafluoroborate CAS Name: acetonitrile; iridium(3+); 6-phenyl-3H-pyridin-3-ide; tetrafluoroborate IUPAC Name: acetonitrile; iridium(3+); 6-phenyl-3H-pyridin-3-ide; tetrafluoroborate Traditional Name: acetonitrile; iridium(3+); 6-phenyl-3H-pyridin-3-ide; tetrafluoroborate Formula: C26H22BF4IrN4 MolecularWeight: 669.501293

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC#N.CC#N.C1=CC=C(C=C1)C2=CC=[C-]C=N2.C1=CC=C(C=C1)C2=CC=[C-]C=N2.[Ir+3]

Isomeric SMILES

[B-](F)(F)(F)F.CC#N.CC#N.C1=CC=C(C=C1)C2=CC=[C-]C=N2.C1=CC=C(C=C1)C2=CC=[C-]C=N2.[Ir+3]

InChI

InChI=1S/2C11H8N.2C2H3N.BF4.Ir/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-2-3;2-1(3,4)5;/h2*1-4,6-9H;2*1H3;;/q2*-1;;;-1;+3