4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine; iridium(3+); 2-phenylpyridine; hexafluorophosphate

Systemtic Name: 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine; iridium(3+); 2-phenylpyridine; hexafluorophosphate Openeye Name: 4-tert-butyl-2-(4-tert-butyl-2-pyridyl)pyridine; iridium(3+); 2-phenylpyridine; hexafluorophosphate CAS Name: 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine; iridium(3+); 2-phenylpyridine; hexafluorophosphate IUPAC Name: 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine; iridium(3+); 2-phenylpyridine; hexafluorophosphate Traditional Name: 4-tert-butyl-2-(4-tert-butyl-2-pyridyl)pyridine; iridium(3+); 2-phenylpyridine; hexafluorophosphate Formula: C40H40F6IrN4P MolecularWeight: 913.95358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2.2C11H8N.F6P.Ir/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-7(2,3,4,5)6;/h7-12H,1-6H3;2*1-6,8-9H;;/q;3*-1;+3