iridium(3+); 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-pyridine

Systemtic Name: iridium(3+); 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-pyridine Openeye Name: iridium(3+); 4-[(E)-2-(4-methoxyphenyl)vinyl]-2-phenyl-pyridine CAS Name: iridium(3+); 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-phenylpyridine IUPAC Name: iridium(3+); 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-phenylpyridine Traditional Name: iridium(3+); 4-[(E)-2-(4-methoxyphenyl)vinyl]-2-phenyl-pyridine Formula: C60H48IrN3O3 MolecularWeight: 1051.25842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC2=CC(=NC=C2)C3=CC=CC=[C-]3.COC1=CC=C(C=C1)C=CC2=CC(=NC=C2)C3=CC=CC=[C-]3.COC1=CC=C(C=C1)C=CC2=CC(=NC=C2)C3=CC=CC=[C-]3.[Ir+3]

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C2=CC(=NC=C2)C3=CC=CC=[C-]3.COC1=CC=C(C=C1)/C=C/C2=CC(=NC=C2)C3=CC=CC=[C-]3.COC1=CC=C(C=C1)/C=C/C2=CC(=NC=C2)C3=CC=CC=[C-]3.[Ir+3]

InChI

InChI=1S/3C20H16NO.Ir/c3*1-22-19-11-9-16(10-12-19)7-8-17-13-14-21-20(15-17)18-5-3-2-4-6-18;/h3*2-5,7-15H,1H3;/q3*-1;+3/b3*8-7+;