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

Systemtic Name: 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methyl-pyridine; iridium; pentane-2,4-dione Openeye Name: 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methyl-pyridine; iridium; pentane-2,4-dione CAS Name: 2-[3,5-bis(trifluoromethyl)-1-benzene-6-idyl]-4-methylpyridine; iridium; pentane-2,4-dione IUPAC Name: 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine; iridium; pentane-2,4-dione Traditional Name: 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methyl-pyridine; iridium; pentane-2,4-dione Formula: C33H24F12IrN2O2-2 MolecularWeight: 900.753698

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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(=O)CC(=O)C.[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(=O)CC(=O)C.[Ir]

InChI

InChI=1S/2C14H8F6N.C5H8O2.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;1-4(6)3-5(2)7;/h2*2-5,7H,1H3;3H2,1-2H3;/q2*-1;;