3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine;tris(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)pyridine;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;2-pyrazol-2-id-3-ylpyridine

C77H67F3Ir3N17 — CID 162274908

About 3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine;tris(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)pyridine;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;2-pyrazol-2-id-3-ylpyridine

3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine;tris(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)pyridine;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;2-pyrazol-2-id-3-ylpyridine (PubChem CID 162274908) has the molecular formula C77H67F3Ir3N17 and a molecular weight of 1864.15 g/mol. Its IUPAC name is 3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine;tris(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)pyridine;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;2-pyrazol-2-id-3-ylpyridine.

Molecular Properties

• Compound Name: 3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine;tris(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)pyridine;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;2-pyrazol-2-id-3-ylpyridine
• PubChem CID: 162274908
• Molecular Formula: C77H67F3Ir3N17
• Molecular Weight: 1864.15 g/mol
• Exact Mass: 1865.46
• IUPAC Name: 3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine;tris(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)pyridine;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;2-pyrazol-2-id-3-ylpyridine
• SMILES: CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cnc(-c2ccn[n-]2)c(C)c1.[Ir+3].[Ir+3].[Ir+3].c1ccc(-c2ccn[n-]2)nc1.c1ccc(N2c3ccccc3N3c4ccccc4CC23)cc1
• InChI: InChI=1S/C20H16N2.3C10H9FN2.C10H10N3.C9H8N3.C8H6N3.3Ir/c1-2-9-16(10-3-1)21-18-12-6-7-13-19(18)22-17-11-5-4-8-15(17)14-20(21)22;3*1-12-6-7-13(8-12)10-4-2-9(11)3-5-10;1-7-5-8(2)10(11-6-7)9-3-4-12-13-9;1-7-6-9(12-11-7)8-4-2-3-5-10-8;1-2-5-9-7(3-1)8-4-6-10-11-8;;;/h1-13,20H,14H2;3*2-4,6-8H,1H3;3-6H,1-2H3;2-6H,1H3;1-6H;;;/q;3*-2;3*-1;3*+3
• InChIKey: VOOFRSJRNYOTSZ-UHFFFAOYSA-N
• XLogP: 14.98
• TPSA: 145.56 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1864.15
LogP ≤ 5	14.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine;tris(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)pyridine;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;2-pyrazol-2-id-3-ylpyridine?

The IUPAC name of 3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine;tris(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)pyridine;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;2-pyrazol-2-id-3-ylpyridine (CID 162274908) is 3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine;tris(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)pyridine;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;2-pyrazol-2-id-3-ylpyridine.

What is the SMILES notation for 3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine;tris(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)pyridine;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;2-pyrazol-2-id-3-ylpyridine?

The canonical SMILES for 3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine;tris(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)pyridine;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;2-pyrazol-2-id-3-ylpyridine is CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cnc(-c2ccn[n-]2)c(C)c1.[Ir+3].[Ir+3].[Ir+3].c1ccc(-c2ccn[n-]2)nc1.c1ccc(N2c3ccccc3N3c4ccccc4CC23)cc1.

What is the InChIKey of 3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine;tris(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)pyridine;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;2-pyrazol-2-id-3-ylpyridine?

The InChIKey is VOOFRSJRNYOTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2.3C10H9FN2.C10H10N3.C9H8N3.C8H6N3.3Ir/c1-2-9-16(10-3-1)21-18-12-6-7-13-19(18)22-17-11-5-4-8-15(17)14-20(21)22;3*1-12-6-7-13(8-12)10-4-2-9(11)3-5-10;1-7-5-8(2)10(11-6-7)9-3-4-12-13-9;1-7-6-9(12-11-7)8-4-2-3-5-10-8;1-2-5-9-7(3-1)8-4-6-10-11-8;;;/h1-13,20H,14H2;3*2-4,6-8H,1H3;3-6H,1-2H3;2-6H,1H3;1-6H;;;/q;3*-2;3*-1;3*+3.

What are the key properties of 3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine;tris(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)pyridine;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;2-pyrazol-2-id-3-ylpyridine?

3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine;tris(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)pyridine;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;2-pyrazol-2-id-3-ylpyridine has a molecular weight of 1864.15 g/mol, XLogP of 14.98, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine;tris(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)pyridine;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;2-pyrazol-2-id-3-ylpyridine is sourced from PubChem (CID 162274908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).