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)-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]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;tris(iridium)

C₉₉H₇₄F₁₅Ir₃N₂₈O-15 — CID 157212360

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)-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]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-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)-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]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;tris(iridium) (PubChem CID 157212360) has the molecular formula C₉₉H₇₄F₁₅Ir₃N₂₈O-15 and a molecular weight of 2533.50 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)-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]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-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)-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]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;tris(iridium)
• PubChem CID: 157212360
• Molecular Formula: C₉₉H₇₄F₁₅Ir₃N₂₈O-15
• Molecular Weight: 2533.50 g/mol
• Exact Mass: 2534.53
• 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)-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]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;tris(iridium)
• SMILES: CC(C)(c1cccc(-c2[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(-c3[c-]cc(F)nc3F)n2)c2cc(C(F)(F)F)n[n-]2)c(C)c1.Fc1c[c-]c(-c2cccc(Oc3cc(C(F)(F)F)n[n-]3)n2)c(F)n1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C23H16F5N5.C17H11F5N4.3C15H14N5.C14H5F5N4O.3Ir/c1-12-9-13(2)21(14(3)10-12)33(20-11-17(31-32-20)23(26,27)28)19-6-4-5-16(29-19)15-7-8-18(24)30-22(15)25;1-16(2,12-8-13(26-25-12)17(20,21)22)11-5-3-4-10(23-11)9-6-7-14(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;15-10-5-4-7(13(16)21-10)8-2-1-3-11(20-8)24-12-6-9(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: HJBYMDNNWZUALX-UHFFFAOYSA-N
• XLogP: 19.41
• TPSA: 281.03 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2533.50
LogP ≤ 5	19.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

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)-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]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-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)-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]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;tris(iridium) (CID 157212360) 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)-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]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-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)-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]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-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)-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]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;tris(iridium) is CC(C)(c1cccc(-c2[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(-c3[c-]cc(F)nc3F)n2)c2cc(C(F)(F)F)n[n-]2)c(C)c1.Fc1c[c-]c(-c2cccc(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)-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]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;tris(iridium)?

The InChIKey is HJBYMDNNWZUALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F5N5.C17H11F5N4.3C15H14N5.C14H5F5N4O.3Ir/c1-12-9-13(2)21(14(3)10-12)33(20-11-17(31-32-20)23(26,27)28)19-6-4-5-16(29-19)15-7-8-18(24)30-22(15)25;1-16(2,12-8-13(26-25-12)17(20,21)22)11-5-3-4-10(23-11)9-6-7-14(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;15-10-5-4-7(13(16)21-10)8-2-1-3-11(20-8)24-12-6-9(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)-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]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-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)-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]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;tris(iridium) has a molecular weight of 2533.50 g/mol, XLogP of 19.41, 16 rotatable bonds, 0 hydrogen bond donors, and 26 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)-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]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;tris(iridium) is sourced from PubChem (CID 157212360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157212360 — identifiers, structure, computed properties (public domain)

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