1-(4-fluoranylbenzene-6-id-1-yl)isoquinoline; iridium

Systemtic Name: 1-(4-fluoranylbenzene-6-id-1-yl)isoquinoline; iridium Openeye Name: 1-(4-fluorobenzene-6-id-1-yl)isoquinoline; iridium CAS Name: 1-(4-fluoro-1-benzene-6-idyl)isoquinoline; iridium IUPAC Name: 1-(4-fluorobenzene-6-id-1-yl)isoquinoline; iridium Traditional Name: 1-(4-fluorobenzene-6-id-1-yl)isoquinoline; iridium Formula: C45H27F3IrN3-3 MolecularWeight: 858.92819

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2C3=CC=C(C=[C-]3)F.C1=CC=C2C(=C1)C=CN=C2C3=CC=C(C=[C-]3)F.C1=CC=C2C(=C1)C=CN=C2C3=CC=C(C=[C-]3)F.[Ir]

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2C3=CC=C(C=[C-]3)F.C1=CC=C2C(=C1)C=CN=C2C3=CC=C(C=[C-]3)F.C1=CC=C2C(=C1)C=CN=C2C3=CC=C(C=[C-]3)F.[Ir]

InChI

InChI=1S/3C15H9FN.Ir/c3*16-13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-17-15;/h3*1-5,7-10H;/q3*-1;