iridium(3+); 3-methanidyl-2,5-diphenyl-1,3,4-oxadiazol-3-ium

Systemtic Name: iridium(3+); 3-methanidyl-2,5-diphenyl-1,3,4-oxadiazol-3-ium Openeye Name: iridium(3+); 3-methanidyl-2,5-diphenyl-1,3,4-oxadiazol-3-ium CAS Name: iridium(3+); 3-methanidyl-2,5-diphenyl-1,3,4-oxadiazol-3-ium IUPAC Name: iridium(3+); 3-methanidyl-2,5-diphenyl-1,3,4-oxadiazol-3-ium Traditional Name: iridium(3+); 3-methanidyl-2,5-diphenyl-1,3,4-oxadiazol-3-ium Formula: C45H33IrN6O3 MolecularWeight: 897.99892

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-][N+]1=C(OC(=N1)C2=CC=CC=C2)C3=CC=CC=[C-]3.[CH2-][N+]1=C(OC(=N1)C2=CC=CC=C2)C3=CC=CC=[C-]3.[CH2-][N+]1=C(OC(=N1)C2=CC=CC=C2)C3=CC=CC=[C-]3.[Ir+3]

Isomeric SMILES

[CH2-][N+]1=C(OC(=N1)C2=CC=CC=C2)C3=CC=CC=[C-]3.[CH2-][N+]1=C(OC(=N1)C2=CC=CC=C2)C3=CC=CC=[C-]3.[CH2-][N+]1=C(OC(=N1)C2=CC=CC=C2)C3=CC=CC=[C-]3.[Ir+3]

InChI

InChI=1S/3C15H11N2O.Ir/c3*1-17-15(13-10-6-3-7-11-13)18-14(16-17)12-8-4-2-5-9-12;/h3*2-10H,1H2;/q3*-1;+3