tris(3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile);6-[(2,6-difluoro-4H-pyridin-4-id-3-yl)oxy]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;2,6-difluoro-3-[[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]oxy]-4H-pyridin-4-ide;tris(iridium)

C99H74F15Ir3N28O4-15 — CID 161166406

About tris(3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile);6-[(2,6-difluoro-4H-pyridin-4-id-3-yl)oxy]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;2,6-difluoro-3-[[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]oxy]-4H-pyridin-4-ide;tris(iridium)

tris(3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile);6-[(2,6-difluoro-4H-pyridin-4-id-3-yl)oxy]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;2,6-difluoro-3-[[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]oxy]-4H-pyridin-4-ide;tris(iridium) (PubChem CID 161166406) has the molecular formula C99H74F15Ir3N28O4-15 and a molecular weight of 2581.49 g/mol. Its IUPAC name is tris(3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile);6-[(2,6-difluoro-4H-pyridin-4-id-3-yl)oxy]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;2,6-difluoro-3-[[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]oxy]-4H-pyridin-4-ide;tris(iridium).

Molecular Properties

• Compound Name: tris(3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile);6-[(2,6-difluoro-4H-pyridin-4-id-3-yl)oxy]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;2,6-difluoro-3-[[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]oxy]-4H-pyridin-4-ide;tris(iridium)
• PubChem CID: 161166406
• Molecular Formula: C99H74F15Ir3N28O4-15
• Molecular Weight: 2581.49 g/mol
• Exact Mass: 2582.52
• IUPAC Name: tris(3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile);6-[(2,6-difluoro-4H-pyridin-4-id-3-yl)oxy]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;2,6-difluoro-3-[[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]oxy]-4H-pyridin-4-ide;tris(iridium)
• SMILES: CC(C)(c1cccc(Oc2[c-]cc(F)nc2F)n1)c1cc(C(F)(F)F)n[n-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C#N)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C#N)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C#N)c2)[CH-]1.Cc1cc(C)c(N(c2cccc(Oc3[c-]cc(F)nc3F)n2)c2cc(C(F)(F)F)n[n-]2)c(C)c1.Fc1c[c-]c(Oc2cccc(Oc3cc(C(F)(F)F)n[n-]3)n2)c(F)n1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C23H16F5N5O.C17H11F5N4O.3C15H14N5.C14H5F5N4O2.3Ir/c1-12-9-13(2)21(14(3)10-12)33(19-11-16(31-32-19)23(26,27)28)18-5-4-6-20(30-18)34-15-7-8-17(24)29-22(15)25;1-16(2,11-8-12(26-25-11)17(20,21)22)10-4-3-5-14(23-10)27-9-6-7-13(18)24-15(9)19;3*1-17-3-5-19(11-17)14-7-13(10-16)8-15(9-14)20-6-4-18(2)12-20;15-9-5-4-7(13(16)20-9)24-10-2-1-3-11(21-10)25-12-6-8(22-23-12)14(17,18)19;;;/h4-6,8-11H,1-3H3;3-5,7-8H,1-2H3;3*3-8,11-12H,1-2H3;1-3,5-6H;;;/q2*-2;3*-3;-2
• InChIKey: YDLNPJOWAHZDAI-UHFFFAOYSA-N
• XLogP: 19.79
• TPSA: 308.72 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 19
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2581.49
LogP ≤ 5	19.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris(3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile);6-[(2,6-difluoro-4H-pyridin-4-id-3-yl)oxy]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;2,6-difluoro-3-[[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]oxy]-4H-pyridin-4-ide;tris(iridium)?

The IUPAC name of tris(3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile);6-[(2,6-difluoro-4H-pyridin-4-id-3-yl)oxy]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;2,6-difluoro-3-[[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]oxy]-4H-pyridin-4-ide;tris(iridium) (CID 161166406) is tris(3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile);6-[(2,6-difluoro-4H-pyridin-4-id-3-yl)oxy]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;2,6-difluoro-3-[[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]oxy]-4H-pyridin-4-ide;tris(iridium).

What is the SMILES notation for tris(3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile);6-[(2,6-difluoro-4H-pyridin-4-id-3-yl)oxy]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;2,6-difluoro-3-[[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]oxy]-4H-pyridin-4-ide;tris(iridium)?

The canonical SMILES for tris(3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile);6-[(2,6-difluoro-4H-pyridin-4-id-3-yl)oxy]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;2,6-difluoro-3-[[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]oxy]-4H-pyridin-4-ide;tris(iridium) is CC(C)(c1cccc(Oc2[c-]cc(F)nc2F)n1)c1cc(C(F)(F)F)n[n-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C#N)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C#N)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C#N)c2)[CH-]1.Cc1cc(C)c(N(c2cccc(Oc3[c-]cc(F)nc3F)n2)c2cc(C(F)(F)F)n[n-]2)c(C)c1.Fc1c[c-]c(Oc2cccc(Oc3cc(C(F)(F)F)n[n-]3)n2)c(F)n1.[Ir].[Ir].[Ir].

What is the InChIKey of tris(3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile);6-[(2,6-difluoro-4H-pyridin-4-id-3-yl)oxy]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;2,6-difluoro-3-[[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]oxy]-4H-pyridin-4-ide;tris(iridium)?

The InChIKey is YDLNPJOWAHZDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F5N5O.C17H11F5N4O.3C15H14N5.C14H5F5N4O2.3Ir/c1-12-9-13(2)21(14(3)10-12)33(19-11-16(31-32-19)23(26,27)28)18-5-4-6-20(30-18)34-15-7-8-17(24)29-22(15)25;1-16(2,11-8-12(26-25-11)17(20,21)22)10-4-3-5-14(23-10)27-9-6-7-13(18)24-15(9)19;3*1-17-3-5-19(11-17)14-7-13(10-16)8-15(9-14)20-6-4-18(2)12-20;15-9-5-4-7(13(16)20-9)24-10-2-1-3-11(21-10)25-12-6-8(22-23-12)14(17,18)19;;;/h4-6,8-11H,1-3H3;3-5,7-8H,1-2H3;3*3-8,11-12H,1-2H3;1-3,5-6H;;;/q2*-2;3*-3;-2;;;.

What are the key properties of tris(3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile);6-[(2,6-difluoro-4H-pyridin-4-id-3-yl)oxy]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;2,6-difluoro-3-[[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]oxy]-4H-pyridin-4-ide;tris(iridium)?

tris(3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile);6-[(2,6-difluoro-4H-pyridin-4-id-3-yl)oxy]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;2,6-difluoro-3-[[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]oxy]-4H-pyridin-4-ide;tris(iridium) has a molecular weight of 2581.49 g/mol, XLogP of 19.79, 19 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for tris(3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile);6-[(2,6-difluoro-4H-pyridin-4-id-3-yl)oxy]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;2,6-difluoro-3-[[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]oxy]-4H-pyridin-4-ide;tris(iridium) is sourced from PubChem (CID 161166406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).