2-(3H-1-benzothiophen-3-id-2-yl)pyridine; 14-(9-hexyl-2,7-dimethyl-fluoren-9-yl)tetradecane-2,4-dione; iridium

Systemtic Name: 2-(3H-1-benzothiophen-3-id-2-yl)pyridine; 14-(9-hexyl-2,7-dimethyl-fluoren-9-yl)tetradecane-2,4-dione; iridium Openeye Name: 2-(3H-benzothiophen-3-id-2-yl)pyridine; 14-(9-hexyl-2,7-dimethyl-fluoren-9-yl)tetradecane-2,4-dione; iridium CAS Name: 2-(3H-1-benzothiophen-3-id-2-yl)pyridine; 14-(9-hexyl-2,7-dimethyl-9-fluorenyl)tetradecane-2,4-dione; iridium IUPAC Name: 2-(3H-1-benzothiophen-3-id-2-yl)pyridine; 14-(9-hexyl-2,7-dimethylfluoren-9-yl)tetradecane-2,4-dione; iridium Traditional Name: 2-(3H-benzothiophen-3-id-2-yl)pyridine; 14-(9-hexyl-2,7-dimethyl-fluoren-9-yl)tetradecane-2,4-dione; iridium Formula: C48H58IrNO2S- MolecularWeight: 905.26162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C2=C(C=CC(=C2)C)C3=C1C=C(C=C3)C)CCCCCCCCCCC(=O)CC(=O)C.C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.[Ir]

Isomeric SMILES

CCCCCCC1(C2=C(C=CC(=C2)C)C3=C1C=C(C=C3)C)CCCCCCCCCCC(=O)CC(=O)C.C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.[Ir]

InChI

InChI=1S/C35H50O2.C13H8NS.Ir/c1-5-6-7-15-22-35(23-16-13-11-9-8-10-12-14-17-30(37)26-29(4)36)33-24-27(2)18-20-31(33)32-21-19-28(3)25-34(32)35;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;/h18-21,24-25H,5-17,22-23,26H2,1-4H3;1-8H;/q;-1;