2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;tetrakis(iridium(3+));bis(2-(5-methylpyrazol-2-id-3-yl)-6-phenylpyridine);2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine

C141H104F14Ir4N24 — CID 157097406

About 2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;tetrakis(iridium(3+));bis(2-(5-methylpyrazol-2-id-3-yl)-6-phenylpyridine);2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine

2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;tetrakis(iridium(3+));bis(2-(5-methylpyrazol-2-id-3-yl)-6-phenylpyridine);2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine (PubChem CID 157097406) has the molecular formula C141H104F14Ir4N24 and a molecular weight of 3169.39 g/mol. Its IUPAC name is 2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;tetrakis(iridium(3+));bis(2-(5-methylpyrazol-2-id-3-yl)-6-phenylpyridine);2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine.

Molecular Properties

• Compound Name: 2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;tetrakis(iridium(3+));bis(2-(5-methylpyrazol-2-id-3-yl)-6-phenylpyridine);2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine
• PubChem CID: 157097406
• Molecular Formula: C141H104F14Ir4N24
• Molecular Weight: 3169.39 g/mol
• Exact Mass: 3170.72
• IUPAC Name: 2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;tetrakis(iridium(3+));bis(2-(5-methylpyrazol-2-id-3-yl)-6-phenylpyridine);2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine
• SMILES: CC(C)(C)c1c[c-]c(-c2cccc(-c3cc(C(F)(F)F)[nH]n3)n2)cc1.Cc1cc(-c2cccc(-c3[c-]cc(C(C)(C)C)cc3)n2)[n-]n1.Cc1cc(-c2cccc(-c3[c-]cc(F)cc3)n2)[n-]n1.Cc1cc(-c2cccc(-c3[c-]cccc3)n2)[n-]n1.Cc1cc(-c2cccc(-c3[c-]cccc3)n2)[n-]n1.FC(F)(F)c1cc(-c2cccc(-c3[c-]cccc3)n2)nn1-c1ccccc1.FC(F)(F)c1cc(-c2cccc(-c3[c-]cccc3)n2)nn1Cc1ccccc1.Fc1c[c-]c(-c2cccc(-c3cc(C(F)(F)F)[nH]n3)n2)cc1.[Ir+3].[Ir+3].[Ir+3].[Ir+3]
• InChI: InChI=1S/C22H15F3N3.C21H13F3N3.C19H17F3N3.C19H19N3.C15H8F4N3.C15H10FN3.2C15H11N3.4Ir/c23-22(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;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;1-18(2,3)13-9-7-12(8-10-13)14-5-4-6-15(23-14)16-11-17(25-24-16)19(20,21)22;1-13-12-18(22-21-13)17-7-5-6-16(20-17)14-8-10-15(11-9-14)19(2,3)4;16-10-6-4-9(5-7-10)11-2-1-3-12(20-11)13-8-14(22-21-13)15(17,18)19;1-10-9-15(19-18-10)14-4-2-3-13(17-14)11-5-7-12(16)8-6-11;2*1-11-10-15(18-17-11)14-9-5-8-13(16-14)12-6-3-2-4-7-12;;;;/h1-10,12-14H,15H2;1-8,10-14H;4-7,9-11H,1-3H3,(H,24,25);5-8,10-12H,1-4H3;1-4,6-8H,(H,21,22);2-5,7-9H,1H3;2*2-6,8-10H,1H3;;;;/q3*-1;-2;-1;3*-2;4*+3
• InChIKey: KPNSYKCSCAVWDB-UHFFFAOYSA-N
• XLogP: 33.18
• TPSA: 304.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3169.39
LogP ≤ 5	33.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;tetrakis(iridium(3+));bis(2-(5-methylpyrazol-2-id-3-yl)-6-phenylpyridine);2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine?

The IUPAC name of 2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;tetrakis(iridium(3+));bis(2-(5-methylpyrazol-2-id-3-yl)-6-phenylpyridine);2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine (CID 157097406) is 2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;tetrakis(iridium(3+));bis(2-(5-methylpyrazol-2-id-3-yl)-6-phenylpyridine);2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine.

What is the SMILES notation for 2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;tetrakis(iridium(3+));bis(2-(5-methylpyrazol-2-id-3-yl)-6-phenylpyridine);2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine?

The canonical SMILES for 2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;tetrakis(iridium(3+));bis(2-(5-methylpyrazol-2-id-3-yl)-6-phenylpyridine);2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine is CC(C)(C)c1c[c-]c(-c2cccc(-c3cc(C(F)(F)F)[nH]n3)n2)cc1.Cc1cc(-c2cccc(-c3[c-]cc(C(C)(C)C)cc3)n2)[n-]n1.Cc1cc(-c2cccc(-c3[c-]cc(F)cc3)n2)[n-]n1.Cc1cc(-c2cccc(-c3[c-]cccc3)n2)[n-]n1.Cc1cc(-c2cccc(-c3[c-]cccc3)n2)[n-]n1.FC(F)(F)c1cc(-c2cccc(-c3[c-]cccc3)n2)nn1-c1ccccc1.FC(F)(F)c1cc(-c2cccc(-c3[c-]cccc3)n2)nn1Cc1ccccc1.Fc1c[c-]c(-c2cccc(-c3cc(C(F)(F)F)[nH]n3)n2)cc1.[Ir+3].[Ir+3].[Ir+3].[Ir+3].

What is the InChIKey of 2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;tetrakis(iridium(3+));bis(2-(5-methylpyrazol-2-id-3-yl)-6-phenylpyridine);2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine?

The InChIKey is KPNSYKCSCAVWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N3.C21H13F3N3.C19H17F3N3.C19H19N3.C15H8F4N3.C15H10FN3.2C15H11N3.4Ir/c23-22(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;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;1-18(2,3)13-9-7-12(8-10-13)14-5-4-6-15(23-14)16-11-17(25-24-16)19(20,21)22;1-13-12-18(22-21-13)17-7-5-6-16(20-17)14-8-10-15(11-9-14)19(2,3)4;16-10-6-4-9(5-7-10)11-2-1-3-12(20-11)13-8-14(22-21-13)15(17,18)19;1-10-9-15(19-18-10)14-4-2-3-13(17-14)11-5-7-12(16)8-6-11;2*1-11-10-15(18-17-11)14-9-5-8-13(16-14)12-6-3-2-4-7-12;;;;/h1-10,12-14H,15H2;1-8,10-14H;4-7,9-11H,1-3H3,(H,24,25);5-8,10-12H,1-4H3;1-4,6-8H,(H,21,22);2-5,7-9H,1H3;2*2-6,8-10H,1H3;;;;/q3*-1;-2;-1;3*-2;4*+3.

What are the key properties of 2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;tetrakis(iridium(3+));bis(2-(5-methylpyrazol-2-id-3-yl)-6-phenylpyridine);2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine?

2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;tetrakis(iridium(3+));bis(2-(5-methylpyrazol-2-id-3-yl)-6-phenylpyridine);2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine has a molecular weight of 3169.39 g/mol, XLogP of 33.18, 19 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;tetrakis(iridium(3+));bis(2-(5-methylpyrazol-2-id-3-yl)-6-phenylpyridine);2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine is sourced from PubChem (CID 157097406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).