2H-dibenzothiophen-2-ide; [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methyl-propyl]-diphenyl-phosphane; iridium

Systemtic Name: 2H-dibenzothiophen-2-ide; [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methyl-propyl]-diphenyl-phosphane; iridium Openeye Name: 2H-dibenzothiophen-2-ide; [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methyl-propyl]-diphenyl-phosphane; iridium CAS Name: 2H-dibenzothiophen-2-ide; [3-diphenylphosphino-2-(diphenylphosphinomethyl)-2-methylpropyl]-diphenylphosphine; iridium IUPAC Name: 2H-dibenzothiophen-2-ide; [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane; iridium Traditional Name: 2H-dibenzothiophen-2-ide; [3-diphenylphosphino-2-(diphenylphosphinomethyl)-2-methyl-propyl]-diphenyl-phosphine; iridium Formula: C53H46IrP3S- MolecularWeight: 1000.135623

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Descriptors Computed from Structure

Canonical SMILES:

CC(CP(C1=CC=CC=C1)C2=CC=CC=C2)(CP(C3=CC=CC=C3)C4=CC=CC=C4)CP(C5=CC=CC=C5)C6=CC=CC=C6.C1=CC=C2C(=C1)C3=C[C-]=CC=C3S2.[Ir]

Isomeric SMILES

CC(CP(C1=CC=CC=C1)C2=CC=CC=C2)(CP(C3=CC=CC=C3)C4=CC=CC=C4)CP(C5=CC=CC=C5)C6=CC=CC=C6.C1=CC=C2C(=C1)C3=C[C-]=CC=C3S2.[Ir]

InChI

InChI=1S/C41H39P3.C12H7S.Ir/c1-41(32-42(35-20-8-2-9-21-35)36-22-10-3-11-23-36,33-43(37-24-12-4-13-25-37)38-26-14-5-15-27-38)34-44(39-28-16-6-17-29-39)40-30-18-7-19-31-40;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;/h2-31H,32-34H2,1H3;1,3-8H;/q;-1;