iridium(3-); 2-(2H-naphthalen-2-id-1-yl)-5-naphthalen-1-yl-pyridine; (Z)-4-oxidanylpent-3-en-2-one

Systemtic Name: iridium(3-); 2-(2H-naphthalen-2-id-1-yl)-5-naphthalen-1-yl-pyridine; (Z)-4-oxidanylpent-3-en-2-one Openeye Name: (Z)-4-hydroxypent-3-en-2-one; iridium(3-); 2-(2H-naphthalen-2-id-1-yl)-5-(1-naphthyl)pyridine CAS Name: (Z)-4-hydroxy-3-penten-2-one; iridium(3-); 2-(2H-naphthalen-2-id-1-yl)-5-(1-naphthalenyl)pyridine IUPAC Name: (Z)-4-hydroxypent-3-en-2-one; iridium(3-); 2-(2H-naphthalen-2-id-1-yl)-5-naphthalen-1-ylpyridine Traditional Name: (Z)-4-hydroxypent-3-en-2-one; iridium(3-); 2-(2H-naphthalen-2-id-1-yl)-5-(1-naphthyl)pyridine Formula: C55H40IrN2O2-5 MolecularWeight: 953.1353

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)O.C1=CC=C2C(=C1)C=CC=C2C3=CN=C(C=C3)C4=C5C=CC=CC5=CC=[C-]4.C1=CC=C2C(=C1)C=CC=C2C3=CN=C(C=C3)C4=C5C=CC=CC5=CC=[C-]4.[Ir-3]

Isomeric SMILES

C/C(=C/C(=O)C)/O.C1=CC=C2C(=C1)C=CC=C2C3=CN=C(C=C3)C4=C5C=CC=CC5=CC=[C-]4.C1=CC=C2C(=C1)C=CC=C2C3=CN=C(C=C3)C4=C5C=CC=CC5=CC=[C-]4.[Ir-3]

InChI

InChI=1S/2C25H16N.C5H8O2.Ir/c2*1-3-11-21-18(7-1)9-5-13-23(21)20-15-16-25(26-17-20)24-14-6-10-19-8-2-4-12-22(19)24;1-4(6)3-5(2)7;/h2*1-13,15-17H;3,6H,1-2H3;/q2*-1;;-3/b;;4-3-;