1,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)imidazole;hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-3-pyridin-2-yl-4H-pyridin-4-ide;pentafluoro-[3-methyl-5-(1-methylpyrazol-3-yl)benzene-6-id-1-yl]-λ6-sulfane;pentafluoro-(6-methyl-5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;pentafluoro-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C76H61F18Ir6N14S3-7 — CID 159676762

About 1,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)imidazole;hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-3-pyridin-2-yl-4H-pyridin-4-ide;pentafluoro-[3-methyl-5-(1-methylpyrazol-3-yl)benzene-6-id-1-yl]-λ6-sulfane;pentafluoro-(6-methyl-5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;pentafluoro-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

1,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)imidazole;hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-3-pyridin-2-yl-4H-pyridin-4-ide;pentafluoro-[3-methyl-5-(1-methylpyrazol-3-yl)benzene-6-id-1-yl]-λ6-sulfane;pentafluoro-(6-methyl-5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;pentafluoro-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 159676762) has the molecular formula C76H61F18Ir6N14S3-7 and a molecular weight of 2761.89 g/mol. Its IUPAC name is 1,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)imidazole;hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-3-pyridin-2-yl-4H-pyridin-4-ide;pentafluoro-[3-methyl-5-(1-methylpyrazol-3-yl)benzene-6-id-1-yl]-λ6-sulfane;pentafluoro-(6-methyl-5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;pentafluoro-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

• Compound Name: 1,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)imidazole;hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-3-pyridin-2-yl-4H-pyridin-4-ide;pentafluoro-[3-methyl-5-(1-methylpyrazol-3-yl)benzene-6-id-1-yl]-λ6-sulfane;pentafluoro-(6-methyl-5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;pentafluoro-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 159676762
• Molecular Formula: C76H61F18Ir6N14S3-7
• Molecular Weight: 2761.89 g/mol
• Exact Mass: 2765.19
• IUPAC Name: 1,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)imidazole;hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-3-pyridin-2-yl-4H-pyridin-4-ide;pentafluoro-[3-methyl-5-(1-methylpyrazol-3-yl)benzene-6-id-1-yl]-λ6-sulfane;pentafluoro-(6-methyl-5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;pentafluoro-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• SMILES: Cc1cc(-c2ccn(C)n2)[c-]c(S(F)(F)(F)(F)F)c1.Cc1cc[c-]c(-c2ccccn2)c1.Cc1cc[c-]c(-c2ncc(C)n2C)c1.Cc1nc(S(F)(F)(F)(F)F)c[c-]c1-c1ccccn1.Cc1ncc[c-]c1-c1ccccn1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FS(F)(F)(F)(F)c1c[c-]c(-c2ccccn2)cn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C12H13N2.C12H10N.C11H10F5N2S.C11H8F5N2S.C11H9N2.C10H6F5N2S.C9H5F3N3.6Ir/c1-9-5-4-6-11(7-9)12-13-8-10(2)14(12)3;1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;1-8-5-9(11-3-4-18(2)17-11)7-10(6-8)19(12,13,14,15)16;1-8-9(10-4-2-3-7-17-10)5-6-11(18-8)19(12,13,14,15)16;1-9-10(5-4-8-12-9)11-6-2-3-7-13-11;11-18(12,13,14,15)10-5-4-8(7-17-10)9-3-1-2-6-16-9;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;;;;;;/h4-5,7-8H,1-3H3;2-5,7-9H,1H3;3-6H,1-2H3;2-4,6-7H,1H3;2-4,6-8H,1H3;1-3,5-7H;1-5H;;;;;;/q7*-1
• InChIKey: LCJXWUDMJJZXFI-UHFFFAOYSA-N
• XLogP: 24.08
• TPSA: 165.75 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2761.89
LogP ≤ 5	24.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)imidazole;hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-3-pyridin-2-yl-4H-pyridin-4-ide;pentafluoro-[3-methyl-5-(1-methylpyrazol-3-yl)benzene-6-id-1-yl]-λ6-sulfane;pentafluoro-(6-methyl-5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;pentafluoro-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The IUPAC name of 1,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)imidazole;hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-3-pyridin-2-yl-4H-pyridin-4-ide;pentafluoro-[3-methyl-5-(1-methylpyrazol-3-yl)benzene-6-id-1-yl]-λ6-sulfane;pentafluoro-(6-methyl-5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;pentafluoro-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 159676762) is 1,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)imidazole;hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-3-pyridin-2-yl-4H-pyridin-4-ide;pentafluoro-[3-methyl-5-(1-methylpyrazol-3-yl)benzene-6-id-1-yl]-λ6-sulfane;pentafluoro-(6-methyl-5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;pentafluoro-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

What is the SMILES notation for 1,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)imidazole;hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-3-pyridin-2-yl-4H-pyridin-4-ide;pentafluoro-[3-methyl-5-(1-methylpyrazol-3-yl)benzene-6-id-1-yl]-λ6-sulfane;pentafluoro-(6-methyl-5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;pentafluoro-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The canonical SMILES for 1,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)imidazole;hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-3-pyridin-2-yl-4H-pyridin-4-ide;pentafluoro-[3-methyl-5-(1-methylpyrazol-3-yl)benzene-6-id-1-yl]-λ6-sulfane;pentafluoro-(6-methyl-5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;pentafluoro-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is Cc1cc(-c2ccn(C)n2)[c-]c(S(F)(F)(F)(F)F)c1.Cc1cc[c-]c(-c2ccccn2)c1.Cc1cc[c-]c(-c2ncc(C)n2C)c1.Cc1nc(S(F)(F)(F)(F)F)c[c-]c1-c1ccccn1.Cc1ncc[c-]c1-c1ccccn1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FS(F)(F)(F)(F)c1c[c-]c(-c2ccccn2)cn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 1,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)imidazole;hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-3-pyridin-2-yl-4H-pyridin-4-ide;pentafluoro-[3-methyl-5-(1-methylpyrazol-3-yl)benzene-6-id-1-yl]-λ6-sulfane;pentafluoro-(6-methyl-5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;pentafluoro-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The InChIKey is LCJXWUDMJJZXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N2.C12H10N.C11H10F5N2S.C11H8F5N2S.C11H9N2.C10H6F5N2S.C9H5F3N3.6Ir/c1-9-5-4-6-11(7-9)12-13-8-10(2)14(12)3;1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;1-8-5-9(11-3-4-18(2)17-11)7-10(6-8)19(12,13,14,15)16;1-8-9(10-4-2-3-7-17-10)5-6-11(18-8)19(12,13,14,15)16;1-9-10(5-4-8-12-9)11-6-2-3-7-13-11;11-18(12,13,14,15)10-5-4-8(7-17-10)9-3-1-2-6-16-9;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;;;;;;/h4-5,7-8H,1-3H3;2-5,7-9H,1H3;3-6H,1-2H3;2-4,6-7H,1H3;2-4,6-8H,1H3;1-3,5-7H;1-5H;;;;;;/q7*-1;;;;;;.

What are the key properties of 1,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)imidazole;hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-3-pyridin-2-yl-4H-pyridin-4-ide;pentafluoro-[3-methyl-5-(1-methylpyrazol-3-yl)benzene-6-id-1-yl]-λ6-sulfane;pentafluoro-(6-methyl-5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;pentafluoro-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

1,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)imidazole;hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-3-pyridin-2-yl-4H-pyridin-4-ide;pentafluoro-[3-methyl-5-(1-methylpyrazol-3-yl)benzene-6-id-1-yl]-λ6-sulfane;pentafluoro-(6-methyl-5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;pentafluoro-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 2761.89 g/mol, XLogP of 24.08, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)imidazole;hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-methyl-3-pyridin-2-yl-4H-pyridin-4-ide;pentafluoro-[3-methyl-5-(1-methylpyrazol-3-yl)benzene-6-id-1-yl]-λ6-sulfane;pentafluoro-(6-methyl-5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;pentafluoro-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)-λ6-sulfane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 159676762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).