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

Systemtic Name: 1-(4-fluoranylbenzene-6-id-1-yl)isoquinoline; iridium; 1-phenylisoquinoline Openeye Name: 1-(4-fluorobenzene-6-id-1-yl)isoquinoline; iridium; 1-phenylisoquinoline CAS Name: 1-(4-fluoro-1-benzene-6-idyl)isoquinoline; iridium; 1-phenylisoquinoline IUPAC Name: 1-(4-fluorobenzene-6-id-1-yl)isoquinoline; iridium; 1-phenylisoquinoline Traditional Name: 1-(4-fluorobenzene-6-id-1-yl)isoquinoline; iridium; 1-phenylisoquinoline Formula: C45H28F2IrN3-3 MolecularWeight: 840.937726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C([C-]=C1)C2=NC=CC3=CC=CC=C32.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=C([C-]=C1)C2=NC=CC3=CC=CC=C32.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/2C15H9FN.C15H10N.Ir/c2*16-13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-17-15;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;/h2*1-5,7-10H;1-7,9-11H;/q3*-1;