lithium;dipyridin-2-ylazanide;iridium;1-methyl-2-phenyl-4-(trifluoromethyl)imidazole;N-pyridin-2-ylpyridin-2-amine;N-pyridin-2-ylpyridin-1-id-2-imine

C41H33F3IrLiN11-2 — CID 158635218

About lithium;dipyridin-2-ylazanide;iridium;1-methyl-2-phenyl-4-(trifluoromethyl)imidazole;N-pyridin-2-ylpyridin-2-amine;N-pyridin-2-ylpyridin-1-id-2-imine

lithium;dipyridin-2-ylazanide;iridium;1-methyl-2-phenyl-4-(trifluoromethyl)imidazole;N-pyridin-2-ylpyridin-2-amine;N-pyridin-2-ylpyridin-1-id-2-imine (PubChem CID 158635218) has the molecular formula C41H33F3IrLiN11-2 and a molecular weight of 935.94 g/mol. Its IUPAC name is lithium;dipyridin-2-ylazanide;iridium;1-methyl-2-phenyl-4-(trifluoromethyl)imidazole;N-pyridin-2-ylpyridin-2-amine;N-pyridin-2-ylpyridin-1-id-2-imine.

Molecular Properties

• Compound Name: lithium;dipyridin-2-ylazanide;iridium;1-methyl-2-phenyl-4-(trifluoromethyl)imidazole;N-pyridin-2-ylpyridin-2-amine;N-pyridin-2-ylpyridin-1-id-2-imine
• PubChem CID: 158635218
• Molecular Formula: C41H33F3IrLiN11-2
• Molecular Weight: 935.94 g/mol
• Exact Mass: 936.27
• IUPAC Name: lithium;dipyridin-2-ylazanide;iridium;1-methyl-2-phenyl-4-(trifluoromethyl)imidazole;N-pyridin-2-ylpyridin-2-amine;N-pyridin-2-ylpyridin-1-id-2-imine
• SMILES: Cn1cc(C(F)(F)F)nc1-c1[c-]cccc1.[Ir].[Li+].c1ccc(N=c2cccc[n-]2)nc1.c1ccc(Nc2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1
• InChI: InChI=1S/C11H8F3N2.C10H9N3.2C10H8N3.Ir.Li/c1-16-7-9(11(12,13)14)15-10(16)8-5-3-2-4-6-8;3*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;;/h2-5,7H,1H3;1-8H,(H,11,12,13);2*1-8H;;/q-1;;2*-1;;+1
• InChIKey: DYNLHVPGJPEELI-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 134.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	935.94
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;dipyridin-2-ylazanide;iridium;1-methyl-2-phenyl-4-(trifluoromethyl)imidazole;N-pyridin-2-ylpyridin-2-amine;N-pyridin-2-ylpyridin-1-id-2-imine?

The IUPAC name of lithium;dipyridin-2-ylazanide;iridium;1-methyl-2-phenyl-4-(trifluoromethyl)imidazole;N-pyridin-2-ylpyridin-2-amine;N-pyridin-2-ylpyridin-1-id-2-imine (CID 158635218) is lithium;dipyridin-2-ylazanide;iridium;1-methyl-2-phenyl-4-(trifluoromethyl)imidazole;N-pyridin-2-ylpyridin-2-amine;N-pyridin-2-ylpyridin-1-id-2-imine.

What is the SMILES notation for lithium;dipyridin-2-ylazanide;iridium;1-methyl-2-phenyl-4-(trifluoromethyl)imidazole;N-pyridin-2-ylpyridin-2-amine;N-pyridin-2-ylpyridin-1-id-2-imine?

The canonical SMILES for lithium;dipyridin-2-ylazanide;iridium;1-methyl-2-phenyl-4-(trifluoromethyl)imidazole;N-pyridin-2-ylpyridin-2-amine;N-pyridin-2-ylpyridin-1-id-2-imine is Cn1cc(C(F)(F)F)nc1-c1[c-]cccc1.[Ir].[Li+].c1ccc(N=c2cccc[n-]2)nc1.c1ccc(Nc2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.

What is the InChIKey of lithium;dipyridin-2-ylazanide;iridium;1-methyl-2-phenyl-4-(trifluoromethyl)imidazole;N-pyridin-2-ylpyridin-2-amine;N-pyridin-2-ylpyridin-1-id-2-imine?

The InChIKey is DYNLHVPGJPEELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N2.C10H9N3.2C10H8N3.Ir.Li/c1-16-7-9(11(12,13)14)15-10(16)8-5-3-2-4-6-8;3*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;;/h2-5,7H,1H3;1-8H,(H,11,12,13);2*1-8H;;/q-1;;2*-1;;+1.

What are the key properties of lithium;dipyridin-2-ylazanide;iridium;1-methyl-2-phenyl-4-(trifluoromethyl)imidazole;N-pyridin-2-ylpyridin-2-amine;N-pyridin-2-ylpyridin-1-id-2-imine?

lithium;dipyridin-2-ylazanide;iridium;1-methyl-2-phenyl-4-(trifluoromethyl)imidazole;N-pyridin-2-ylpyridin-2-amine;N-pyridin-2-ylpyridin-1-id-2-imine has a molecular weight of 935.94 g/mol, XLogP of 6.21, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;dipyridin-2-ylazanide;iridium;1-methyl-2-phenyl-4-(trifluoromethyl)imidazole;N-pyridin-2-ylpyridin-2-amine;N-pyridin-2-ylpyridin-1-id-2-imine is sourced from PubChem (CID 158635218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).