2-[2-benzyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-[2-ethyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;tetrakis(iridium(3+));2-[2-methyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-phenyl-6-[2-phenyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine

C152H104F24Ir4N24+4 — CID 159165830

About 2-[2-benzyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-[2-ethyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;tetrakis(iridium(3+));2-[2-methyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-phenyl-6-[2-phenyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine

2-[2-benzyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-[2-ethyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;tetrakis(iridium(3+));2-[2-methyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-phenyl-6-[2-phenyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine (PubChem CID 159165830) has the molecular formula C152H104F24Ir4N24+4 and a molecular weight of 3491.49 g/mol. Its IUPAC name is 2-[2-benzyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-[2-ethyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;tetrakis(iridium(3+));2-[2-methyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-phenyl-6-[2-phenyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine.

Molecular Properties

• Compound Name: 2-[2-benzyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-[2-ethyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;tetrakis(iridium(3+));2-[2-methyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-phenyl-6-[2-phenyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine
• PubChem CID: 159165830
• Molecular Formula: C152H104F24Ir4N24+4
• Molecular Weight: 3491.49 g/mol
• Exact Mass: 3492.70
• IUPAC Name: 2-[2-benzyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-[2-ethyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;tetrakis(iridium(3+));2-[2-methyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-phenyl-6-[2-phenyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine
• SMILES: CC[n+]1[n-]c(-c2cccc(-c3[c-]cccc3)n2)cc1C(F)(F)F.CCn1nc(-c2cccc(-c3[c-]cccc3)n2)cc1C(F)(F)F.C[n+]1[n-]c(-c2cccc(-c3[c-]cccc3)n2)cc1C(F)(F)F.Cn1nc(-c2cccc(-c3[c-]cccc3)n2)cc1C(F)(F)F.FC(F)(F)c1cc(-c2cccc(-c3[c-]cccc3)n2)[n-][n+]1-c1ccccc1.FC(F)(F)c1cc(-c2cccc(-c3[c-]cccc3)n2)[n-][n+]1Cc1ccccc1.FC(F)(F)c1cc(-c2cccc(-c3[c-]cccc3)n2)nn1-c1ccccc1.FC(F)(F)c1cc(-c2cccc(-c3[c-]cccc3)n2)nn1Cc1ccccc1.[Ir+3].[Ir+3].[Ir+3].[Ir+3]
• InChI: InChI=1S/2C22H15F3N3.2C21H13F3N3.2C17H13F3N3.2C16H11F3N3.4Ir/c2*23-22(24,25)21-14-20(27-28(21)15-16-8-3-1-4-9-16)19-13-7-12-18(26-19)17-10-5-2-6-11-17;2*22-21(23,24)20-14-19(26-27(20)16-10-5-2-6-11-16)18-13-7-12-17(25-18)15-8-3-1-4-9-15;2*1-2-23-16(17(18,19)20)11-15(22-23)14-10-6-9-13(21-14)12-7-4-3-5-8-12;2*1-22-15(16(17,18)19)10-14(21-22)13-9-5-8-12(20-13)11-6-3-2-4-7-11;;;;/h2*1-10,12-14H,15H2;2*1-8,10-14H;2*3-7,9-11H,2H2,1H3;2*2-6,8-10H,1H3;;;;/q8*-1;4*+3
• InChIKey: XLIPLIBPTQRQCC-UHFFFAOYSA-N
• XLogP: 34.82
• TPSA: 246.32 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3491.49
LogP ≤ 5	34.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-benzyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-[2-ethyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;tetrakis(iridium(3+));2-[2-methyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-phenyl-6-[2-phenyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine?

The IUPAC name of 2-[2-benzyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-[2-ethyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;tetrakis(iridium(3+));2-[2-methyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-phenyl-6-[2-phenyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine (CID 159165830) is 2-[2-benzyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-[2-ethyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;tetrakis(iridium(3+));2-[2-methyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-phenyl-6-[2-phenyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine.

What is the SMILES notation for 2-[2-benzyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-[2-ethyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;tetrakis(iridium(3+));2-[2-methyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-phenyl-6-[2-phenyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine?

The canonical SMILES for 2-[2-benzyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-[2-ethyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;tetrakis(iridium(3+));2-[2-methyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-phenyl-6-[2-phenyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine is CC[n+]1[n-]c(-c2cccc(-c3[c-]cccc3)n2)cc1C(F)(F)F.CCn1nc(-c2cccc(-c3[c-]cccc3)n2)cc1C(F)(F)F.C[n+]1[n-]c(-c2cccc(-c3[c-]cccc3)n2)cc1C(F)(F)F.Cn1nc(-c2cccc(-c3[c-]cccc3)n2)cc1C(F)(F)F.FC(F)(F)c1cc(-c2cccc(-c3[c-]cccc3)n2)[n-][n+]1-c1ccccc1.FC(F)(F)c1cc(-c2cccc(-c3[c-]cccc3)n2)[n-][n+]1Cc1ccccc1.FC(F)(F)c1cc(-c2cccc(-c3[c-]cccc3)n2)nn1-c1ccccc1.FC(F)(F)c1cc(-c2cccc(-c3[c-]cccc3)n2)nn1Cc1ccccc1.[Ir+3].[Ir+3].[Ir+3].[Ir+3].

What is the InChIKey of 2-[2-benzyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-[2-ethyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;tetrakis(iridium(3+));2-[2-methyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-phenyl-6-[2-phenyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine?

The InChIKey is XLIPLIBPTQRQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H15F3N3.2C21H13F3N3.2C17H13F3N3.2C16H11F3N3.4Ir/c2*23-22(24,25)21-14-20(27-28(21)15-16-8-3-1-4-9-16)19-13-7-12-18(26-19)17-10-5-2-6-11-17;2*22-21(23,24)20-14-19(26-27(20)16-10-5-2-6-11-16)18-13-7-12-17(25-18)15-8-3-1-4-9-15;2*1-2-23-16(17(18,19)20)11-15(22-23)14-10-6-9-13(21-14)12-7-4-3-5-8-12;2*1-22-15(16(17,18)19)10-14(21-22)13-9-5-8-12(20-13)11-6-3-2-4-7-11;;;;/h2*1-10,12-14H,15H2;2*1-8,10-14H;2*3-7,9-11H,2H2,1H3;2*2-6,8-10H,1H3;;;;/q8*-1;4*+3.

What are the key properties of 2-[2-benzyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-[2-ethyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;tetrakis(iridium(3+));2-[2-methyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-phenyl-6-[2-phenyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine?

2-[2-benzyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-[2-ethyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;tetrakis(iridium(3+));2-[2-methyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-phenyl-6-[2-phenyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine has a molecular weight of 3491.49 g/mol, XLogP of 34.82, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-benzyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-[2-ethyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;tetrakis(iridium(3+));2-[2-methyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-phenyl-6-[2-phenyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine is sourced from PubChem (CID 159165830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).