1-(4-fluoranyl-3-methyl-benzene-6-id-1-yl)isoquinoline; iridium

Systemtic Name: 1-(4-fluoranyl-3-methyl-benzene-6-id-1-yl)isoquinoline; iridium Openeye Name: 1-(4-fluoro-3-methyl-benzene-6-id-1-yl)isoquinoline; iridium CAS Name: 1-(4-fluoro-3-methyl-1-benzene-6-idyl)isoquinoline; iridium IUPAC Name: 1-(4-fluoro-3-methylbenzene-6-id-1-yl)isoquinoline; iridium Traditional Name: 1-(4-fluoro-3-methyl-benzene-6-id-1-yl)isoquinoline; iridium Formula: C48H33F3IrN3-3 MolecularWeight: 901.00793

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=[C-]C(=C1)C2=NC=CC3=CC=CC=C32)F.CC1=C(C=[C-]C(=C1)C2=NC=CC3=CC=CC=C32)F.CC1=C(C=[C-]C(=C1)C2=NC=CC3=CC=CC=C32)F.[Ir]

Isomeric SMILES

CC1=C(C=[C-]C(=C1)C2=NC=CC3=CC=CC=C32)F.CC1=C(C=[C-]C(=C1)C2=NC=CC3=CC=CC=C32)F.CC1=C(C=[C-]C(=C1)C2=NC=CC3=CC=CC=C32)F.[Ir]

InChI

InChI=1S/3C16H11FN.Ir/c3*1-11-10-13(6-7-15(11)17)16-14-5-3-2-4-12(14)8-9-18-16;/h3*2-5,7-10H,1H3;/q3*-1;