91437-83-1 Purity
96%
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Specification
The molecular formula is C63H72IrN6 +3.
One synonym is 914394-25-5.
The molecular weight is 1105.5 g/mol.
The IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium(3+).
The InChI is InChI=1S/3C21H24N2.Ir/c3*1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;/h3*5-16H,1-4H3;/q;;;+3.
The InChIKey is JAYYIQMEVFKELL-UHFFFAOYSA-N.
The canonical SMILES is CC(C)C1=C(C(=CC=C1)C(C)C)N2C=CN=C2C3=CC=CC=C3.CC(C)C1=C(C(=CC=C1)C(C)C)N2C=CN=C2C3=CC=CC=C3.CC(C)C1=C(C(=CC=C1)C(C)C)N2C=CN=C2C3=CC=CC=C3.[Ir+3].
It has 0 hydrogen bond donor counts.
It has 3 hydrogen bond acceptor counts.
The topological polar surface area is 53.5?2.
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