[4-[6-(3H-1-benzothiophen-3-id-2-yl)pyridin-3-yl]phenyl]-triphenyl-silane; iridium(3+)

Systemtic Name: [4-[6-(3H-1-benzothiophen-3-id-2-yl)pyridin-3-yl]phenyl]-triphenyl-silane; iridium(3+) Openeye Name: [4-[6-(3H-benzothiophen-3-id-2-yl)-3-pyridyl]phenyl]-triphenyl-silane; iridium(3+) CAS Name: [4-[6-(3H-1-benzothiophen-3-id-2-yl)-3-pyridinyl]phenyl]-triphenylsilane; iridium(3+) IUPAC Name: [4-[6-(3H-1-benzothiophen-3-id-2-yl)pyridin-3-yl]phenyl]-triphenylsilane; iridium(3+) Traditional Name: [4-[6-(3H-benzothiophen-3-id-2-yl)-3-pyridyl]phenyl]-triphenyl-silane; iridium(3+) Formula: C111H78IrN3S3Si3 MolecularWeight: 1826.49562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)C5=CN=C(C=C5)C6=[C-]C7=CC=CC=C7S6.C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)C5=CN=C(C=C5)C6=[C-]C7=CC=CC=C7S6.C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)C5=CN=C(C=C5)C6=[C-]C7=CC=CC=C7S6.[Ir+3]

Isomeric SMILES

C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)C5=CN=C(C=C5)C6=[C-]C7=CC=CC=C7S6.C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)C5=CN=C(C=C5)C6=[C-]C7=CC=CC=C7S6.C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)C5=CN=C(C=C5)C6=[C-]C7=CC=CC=C7S6.[Ir+3]

InChI

InChI=1S/3C37H26NSSi.Ir/c3*1-4-13-31(14-5-1)40(32-15-6-2-7-16-32,33-17-8-3-9-18-33)34-23-20-28(21-24-34)30-22-25-35(38-27-30)37-26-29-12-10-11-19-36(29)39-37;/h3*1-25,27H;/q3*-1;+3