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

C128H93F20Ir4N37O5S-20 — CID 157260461

About tetrakis(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;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]oxy]-4H-pyridin-4-ide;tetrakis(iridium)

tetrakis(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;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]oxy]-4H-pyridin-4-ide;tetrakis(iridium) (PubChem CID 157260461) has the molecular formula C128H93F20Ir4N37O5S-20 and a molecular weight of 3410.30 g/mol. Its IUPAC name is tetrakis(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;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]oxy]-4H-pyridin-4-ide;tetrakis(iridium).

Molecular Properties

• Compound Name: tetrakis(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;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]oxy]-4H-pyridin-4-ide;tetrakis(iridium)
• PubChem CID: 157260461
• Molecular Formula: C128H93F20Ir4N37O5S-20
• Molecular Weight: 3410.30 g/mol
• Exact Mass: 3411.62
• IUPAC Name: tetrakis(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;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]oxy]-4H-pyridin-4-ide;tetrakis(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.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.Fc1c[c-]c(Oc2cccc(Sc3cc(C(F)(F)F)n[n-]3)n2)c(F)n1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C23H16F5N5O.C17H11F5N4O.4C15H14N5.C14H5F5N4O2.C14H5F5N4OS.4Ir/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;4*1-17-3-5-19(11-17)14-7-13(10-16)8-15(9-14)20-6-4-18(2)12-20;2*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;4*3-8,11-12H,1-2H3;2*1-3,5-6H;;;;/q2*-2;4*-3;2*-2
• InChIKey: VDERWSRGBCRNEI-UHFFFAOYSA-N
• XLogP: 25.70
• TPSA: 407.47 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 25
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3410.30
LogP ≤ 5	25.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

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 tetrakis(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;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]oxy]-4H-pyridin-4-ide;tetrakis(iridium)?

The IUPAC name of tetrakis(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;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]oxy]-4H-pyridin-4-ide;tetrakis(iridium) (CID 157260461) is tetrakis(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;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]oxy]-4H-pyridin-4-ide;tetrakis(iridium).

What is the SMILES notation for tetrakis(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;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]oxy]-4H-pyridin-4-ide;tetrakis(iridium)?

The canonical SMILES for tetrakis(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;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]oxy]-4H-pyridin-4-ide;tetrakis(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.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.Fc1c[c-]c(Oc2cccc(Sc3cc(C(F)(F)F)n[n-]3)n2)c(F)n1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of tetrakis(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;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]oxy]-4H-pyridin-4-ide;tetrakis(iridium)?

The InChIKey is VDERWSRGBCRNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F5N5O.C17H11F5N4O.4C15H14N5.C14H5F5N4O2.C14H5F5N4OS.4Ir/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;4*1-17-3-5-19(11-17)14-7-13(10-16)8-15(9-14)20-6-4-18(2)12-20;2*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;4*3-8,11-12H,1-2H3;2*1-3,5-6H;;;;/q2*-2;4*-3;2*-2;;;;.

What are the key properties of tetrakis(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;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]oxy]-4H-pyridin-4-ide;tetrakis(iridium)?

tetrakis(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;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]oxy]-4H-pyridin-4-ide;tetrakis(iridium) has a molecular weight of 3410.30 g/mol, XLogP of 25.70, 25 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(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;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]oxy]-4H-pyridin-4-ide;tetrakis(iridium) is sourced from PubChem (CID 157260461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).