2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole; iridium; 2-(3H-naphthalen-3-id-2-yl)quinoline

Systemtic Name: 2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole; iridium; 2-(3H-naphthalen-3-id-2-yl)quinoline Openeye Name: 2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole; iridium; 2-(3H-naphthalen-3-id-2-yl)quinoline CAS Name: 2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole; iridium; 2-(3H-naphthalen-3-id-2-yl)quinoline IUPAC Name: 2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole; iridium; 2-(3H-naphthalen-3-id-2-yl)quinoline Traditional Name: 2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole; iridium; 2-(3H-naphthalen-3-id-2-yl)quinoline Formula: C34H21IrN3O2-2 MolecularWeight: 695.76644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C3=CC4=CC=CC=C4C=[C-]3.C1=CC=C2C(=C1)[N-]C(=CC3=NC4=CC=CC=C4O3)O2.[Ir]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C3=CC4=CC=CC=C4C=[C-]3.C1=CC=C2C(=C1)[N-]/C(=C\C3=NC4=CC=CC=C4O3)/O2.[Ir]

InChI

InChI=1S/C19H12N.C15H9N2O2.Ir/c1-2-7-16-13-17(10-9-14(16)5-1)19-12-11-15-6-3-4-8-18(15)20-19;1-3-7-12-10(5-1)16-14(18-12)9-15-17-11-6-2-4-8-13(11)19-15;/h1-9,11-13H;1-9H;/q2*-1;/b;14-9+;