(Z)-1,3-bis(4-bromophenyl)-3-oxidanylidene-prop-1-en-1-olate; iridium(3+); 1-phenyl-6H-isoquinolin-6-ide

Systemtic Name: (Z)-1,3-bis(4-bromophenyl)-3-oxidanylidene-prop-1-en-1-olate; iridium(3+); 1-phenyl-6H-isoquinolin-6-ide Openeye Name: (Z)-1,3-bis(4-bromophenyl)-3-oxo-prop-1-en-1-olate; iridium(3+); 1-phenyl-6H-isoquinolin-6-ide CAS Name: (Z)-1,3-bis(4-bromophenyl)-3-oxo-1-propen-1-olate; iridium(3+); 1-phenyl-6H-isoquinolin-6-ide IUPAC Name: (Z)-1,3-bis(4-bromophenyl)-3-oxoprop-1-en-1-olate; iridium(3+); 1-phenyl-6H-isoquinolin-6-ide Traditional Name: (Z)-1,3-bis(4-bromophenyl)-3-keto-prop-1-en-1-olate; iridium(3+); 1-phenyl-6H-isoquinolin-6-ide Formula: C45H29Br2IrN2O2 MolecularWeight: 981.74896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=CC3=C[C-]=CC=C32.C1=CC=C(C=C1)C2=NC=CC3=C[C-]=CC=C32.C1=CC(=CC=C1C(=CC(=O)C2=CC=C(C=C2)Br)[O-])Br.[Ir+3]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=CC3=C[C-]=CC=C32.C1=CC=C(C=C1)C2=NC=CC3=C[C-]=CC=C32.C1=CC(=CC=C1/C(=C/C(=O)C2=CC=C(C=C2)Br)/[O-])Br.[Ir+3]

InChI

InChI=1S/C15H10Br2O2.2C15H10N.Ir/c16-12-5-1-10(2-6-12)14(18)9-15(19)11-3-7-13(17)8-4-11;2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;/h1-9,18H;2*1-3,5-11H;/q;2*-1;+3/p-1/b14-9-;;;