iridium(3+); 6-phenyl-3H-pyridin-3-ide; triphenylphosphane; tris(fluoranyl)methanesulfonate

Systemtic Name: iridium(3+); 6-phenyl-3H-pyridin-3-ide; triphenylphosphane; tris(fluoranyl)methanesulfonate Openeye Name: iridium(3+); 6-phenyl-3H-pyridin-3-ide; trifluoromethanesulfonate; triphenylphosphane CAS Name: iridium(3+); 6-phenyl-3H-pyridin-3-ide; trifluoromethanesulfonate; triphenylphosphine IUPAC Name: iridium(3+); 6-phenyl-3H-pyridin-3-ide; trifluoromethanesulfonate; triphenylphosphane Traditional Name: iridium(3+); 6-phenyl-3H-pyridin-3-ide; triphenylphosphine; triflate Formula: C59H46F3IrN2O3P2S MolecularWeight: 1174.232872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=[C-]C=N2.C1=CC=C(C=C1)C2=CC=[C-]C=N2.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-].[Ir+3]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=[C-]C=N2.C1=CC=C(C=C1)C2=CC=[C-]C=N2.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-].[Ir+3]

InChI

InChI=1S/2C18H15P.2C11H8N.CHF3O3S.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2-1(3,4)8(5,6)7;/h2*1-15H;2*1-4,6-9H;(H,5,6,7);/q;;2*-1;;+3/p-1