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The molecular formula is C39H24IrN3S3.
The PubChem CID is 71306700.
The molecular weight is 823.0 g/mol.
The IUPAC name is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;iridium(3+).
The InChI is InChI=1S/3C13H8NS.Ir/c3*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;/h3*1-8H;/q3*-1;+3.
The InChIKey is USGICQHVMVTCCE-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.[Ir+3].
The CAS number is 405289-74-9.
The European Community (EC) number is 637-024-1.
The hydrogen bond donor count is 0.
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