2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methyl-pyridine; 1-diphenylphosphanylpropan-2-ol; iridium

Systemtic Name: 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methyl-pyridine; 1-diphenylphosphanylpropan-2-ol; iridium Openeye Name: 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methyl-pyridine; 1-diphenylphosphanylpropan-2-ol; iridium CAS Name: 2-[3,5-bis(trifluoromethyl)-1-benzene-6-idyl]-4-methylpyridine; 1-diphenylphosphino-2-propanol; iridium IUPAC Name: 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine; 1-diphenylphosphanylpropan-2-ol; iridium Traditional Name: 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methyl-pyridine; 1-diphenylphosphinopropan-2-ol; iridium Formula: C43H33F12IrN2OP-2 MolecularWeight: 1044.906519

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C2=[C-]C(=CC(=C2)C(F)(F)F)C(F)(F)F.CC1=CC(=NC=C1)C2=[C-]C(=CC(=C2)C(F)(F)F)C(F)(F)F.CC(CP(C1=CC=CC=C1)C2=CC=CC=C2)O.[Ir]

Isomeric SMILES

CC1=CC(=NC=C1)C2=[C-]C(=CC(=C2)C(F)(F)F)C(F)(F)F.CC1=CC(=NC=C1)C2=[C-]C(=CC(=C2)C(F)(F)F)C(F)(F)F.CC(CP(C1=CC=CC=C1)C2=CC=CC=C2)O.[Ir]

InChI

InChI=1S/C15H17OP.2C14H8F6N.Ir/c1-13(16)12-17(14-8-4-2-5-9-14)15-10-6-3-7-11-15;2*1-8-2-3-21-12(4-8)9-5-10(13(15,16)17)7-11(6-9)14(18,19)20;/h2-11,13,16H,12H2,1H3;2*2-5,7H,1H3;/q;2*-1;