4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine; iridium(3+); 2-phenyl-6-pyridin-2-yl-4H-pyridin-4-ide; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine; iridium(3+); 2-phenyl-6-pyridin-2-yl-4H-pyridin-4-ide; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 4-tert-butyl-2-(4-tert-butyl-2-pyridyl)pyridine; iridium(3+); 2-phenyl-6-(2-pyridyl)-4H-pyridin-4-ide; 2,2,2-trifluoroacetate CAS Name: 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine; iridium(3+); 2-phenyl-6-(2-pyridinyl)-4H-pyridin-4-ide; 2,2,2-trifluoroacetate IUPAC Name: 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine; iridium(3+); 2-phenyl-6-pyridin-2-yl-4H-pyridin-4-ide; 2,2,2-trifluoroacetate Traditional Name: 4-tert-butyl-2-(4-tert-butyl-2-pyridyl)pyridine; iridium(3+); 2-phenyl-6-(2-pyridyl)-4H-pyridin-4-ide; 2,2,2-trifluoroacetate Formula: C38H35F6IrN4O4 MolecularWeight: 917.916319

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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=NC(=C[C-]=C2)C3=CC=CC=N3.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[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=NC(=C[C-]=C2)C3=CC=CC=N3.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Ir+3]

InChI

InChI=1S/C18H24N2.C16H11N2.2C2HF3O2.Ir/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15;2*3-2(4,5)1(6)7;/h7-12H,1-6H3;1-5,7-12H;2*(H,6,7);/q;-1;;;+3/p-2