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

Systemtic Name: 5-fluoranyl-1-(4-fluoranylbenzene-6-id-1-yl)isoquinoline; iridium Openeye Name: 5-fluoro-1-(4-fluorobenzene-6-id-1-yl)isoquinoline; iridium CAS Name: 5-fluoro-1-(4-fluoro-1-benzene-6-idyl)isoquinoline; iridium IUPAC Name: 5-fluoro-1-(4-fluorobenzene-6-id-1-yl)isoquinoline; iridium Traditional Name: 5-fluoro-1-(4-fluorobenzene-6-id-1-yl)isoquinoline; iridium Formula: C45H24F6IrN3-3 MolecularWeight: 912.899579

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2C3=CC=C(C=[C-]3)F)C(=C1)F.C1=CC2=C(C=CN=C2C3=CC=C(C=[C-]3)F)C(=C1)F.C1=CC2=C(C=CN=C2C3=CC=C(C=[C-]3)F)C(=C1)F.[Ir]

Isomeric SMILES

C1=CC2=C(C=CN=C2C3=CC=C(C=[C-]3)F)C(=C1)F.C1=CC2=C(C=CN=C2C3=CC=C(C=[C-]3)F)C(=C1)F.C1=CC2=C(C=CN=C2C3=CC=C(C=[C-]3)F)C(=C1)F.[Ir]

InChI

InChI=1S/3C15H8F2N.Ir/c3*16-11-6-4-10(5-7-11)15-13-2-1-3-14(17)12(13)8-9-18-15;/h3*1-4,6-9H;/q3*-1;