[1,3-bis(diphenylmethyl)imidazol-2-ylidene]-bromanyl-iridium

Systemtic Name: [1,3-bis(diphenylmethyl)imidazol-2-ylidene]-bromanyl-iridium Openeye Name: bromo-(1,3-dibenzhydrylimidazol-2-ylidene)iridium CAS Name: [1,3-bis(diphenylmethyl)-2-imidazolylidene]-bromoiridium IUPAC Name: bromo-(1,3-dibenzhydrylimidazol-2-ylidene)iridium Traditional Name: bromo-(1,3-dibenzhydryl-4-imidazolin-2-ylidene)iridium Formula: C29H24BrIrN2 MolecularWeight: 672.63526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C=CN(C3=[Ir]Br)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C=CN(C3=[Ir]Br)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H24N2.BrH.Ir/c1-5-13-24(14-6-1)28(25-15-7-2-8-16-25)30-21-22-31(23-30)29(26-17-9-3-10-18-26)27-19-11-4-12-20-27;;/h1-22,28-29H;1H;/q;;+1/p-1