3,5-dimethyl-1-phenyl-4H-pyrazol-4-ide; iridium(3+); 13-[4-(5-pyridin-2-ylpyrazol-2-id-3-yl)phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane

Systemtic Name: 3,5-dimethyl-1-phenyl-4H-pyrazol-4-ide; iridium(3+); 13-[4-(5-pyridin-2-ylpyrazol-2-id-3-yl)phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane Openeye Name: 3,5-dimethyl-1-phenyl-4H-pyrazol-4-ide; iridium(3+); 13-[4-[5-(2-pyridyl)pyrazol-2-id-3-yl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane CAS Name: 3,5-dimethyl-1-phenyl-4H-pyrazol-4-ide; iridium(3+); 13-[4-[5-(2-pyridinyl)-3-pyrazol-2-idyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane IUPAC Name: 3,5-dimethyl-1-phenyl-4H-pyrazol-4-ide; iridium(3+); 13-[4-(5-pyridin-2-ylpyrazol-2-id-3-yl)phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane Traditional Name: 3,5-dimethyl-1-phenyl-4H-pyrazol-4-ide; iridium(3+); 13-[4-[5-(2-pyridyl)pyrazol-2-id-3-yl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane Formula: C46H51IrN8O4 MolecularWeight: 972.16534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]C(=NN1C2=CC=CC=C2)C.CC1=[C-]C(=NN1C2=CC=CC=C2)C.C1COCCOCCOCCOCCN1C2=CC=C(C=C2)C3=CC(=N[N-]3)C4=CC=CC=N4.[Ir+3]

Isomeric SMILES

CC1=[C-]C(=NN1C2=CC=CC=C2)C.CC1=[C-]C(=NN1C2=CC=CC=C2)C.C1COCCOCCOCCOCCN1C2=CC=C(C=C2)C3=CC(=N[N-]3)C4=CC=CC=N4.[Ir+3]

InChI

InChI=1S/C24H29N4O4.2C11H11N2.Ir/c1-2-8-25-22(3-1)24-19-23(26-27-24)20-4-6-21(7-5-20)28-9-11-29-13-15-31-17-18-32-16-14-30-12-10-28;2*1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;/h1-8,19H,9-18H2;2*3-7H,1-2H3;/q3*-1;+3