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

Systemtic Name: 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methyl-pyridine; 2-diphenylphosphanylethanol; iridium Openeye Name: 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methyl-pyridine; 2-diphenylphosphanylethanol; iridium CAS Name: 2-[3,5-bis(trifluoromethyl)-1-benzene-6-idyl]-4-methylpyridine; 2-diphenylphosphinoethanol; iridium IUPAC Name: 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine; 2-diphenylphosphanylethanol; iridium Traditional Name: 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methyl-pyridine; 2-diphenylphosphinoethanol; iridium Formula: C42H31F12IrN2OP-2 MolecularWeight: 1030.879939

Click to see the large picture

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.C1=CC=C(C=C1)P(CCO)C2=CC=CC=C2.[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.C1=CC=C(C=C1)P(CCO)C2=CC=CC=C2.[Ir]

InChI

InChI=1S/2C14H8F6N.C14H15OP.Ir/c2*1-8-2-3-21-12(4-8)9-5-10(13(15,16)17)7-11(6-9)14(18,19)20;15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h2*2-5,7H,1H3;1-10,15H,11-12H2;/q2*-1;;