iridium(3+); 12H-phenanthro[9,10-b]pyridin-12-ide; 1,10-phenanthroline; chloride

Systemtic Name: iridium(3+); 12H-phenanthro[9,10-b]pyridin-12-ide; 1,10-phenanthroline; chloride Openeye Name: iridium(3+); 12H-phenanthro[9,10-b]pyridin-12-ide; 1,10-phenanthroline; chloride CAS Name: iridium(3+); 12H-phenanthro[9,10-b]pyridin-12-ide; 1,10-phenanthroline; chloride IUPAC Name: iridium(3+); 12H-phenanthro[9,10-b]pyridin-12-ide; 1,10-phenanthroline; chloride Traditional Name: iridium(3+); 12H-phenanthro[9,10-b]pyridin-12-ide; 1,10-phenanthroline; chloride Formula: C46H28ClIrN4 MolecularWeight: 864.41132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C3=C(C4=C(C2=C1)C=CC=[C-]4)N=CC=C3.C1=CC=C2C3=C(C4=C(C2=C1)C=CC=[C-]4)N=CC=C3.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Cl-].[Ir+3]

Isomeric SMILES

C1=CC=C2C3=C(C4=C(C2=C1)C=CC=[C-]4)N=CC=C3.C1=CC=C2C3=C(C4=C(C2=C1)C=CC=[C-]4)N=CC=C3.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Cl-].[Ir+3]

InChI

InChI=1S/2C17H10N.C12H8N2.ClH.Ir/c2*1-2-7-14-12(6-1)13-8-3-4-9-15(13)17-16(14)10-5-11-18-17;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h2*1-8,10-11H;1-8H;1H;/q2*-1;;;+3/p-1