2-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;iridium;tetrakis(iridium(3+));methane;2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;pent-2-ene-2,4-diol;tetrakis(2-phenylpyridine);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine;2-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine

C157H120Ir5N18O13-2 — CID 162270716

About 2-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;iridium;tetrakis(iridium(3+));methane;2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;pent-2-ene-2,4-diol;tetrakis(2-phenylpyridine);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine;2-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine

2-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;iridium;tetrakis(iridium(3+));methane;2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;pent-2-ene-2,4-diol;tetrakis(2-phenylpyridine);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine;2-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine (PubChem CID 162270716) has the molecular formula C157H120Ir5N18O13-2 and a molecular weight of 3427.88 g/mol. Its IUPAC name is 2-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;iridium;tetrakis(iridium(3+));methane;2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;pent-2-ene-2,4-diol;tetrakis(2-phenylpyridine);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine;2-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine.

Molecular Properties

• Compound Name: 2-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;iridium;tetrakis(iridium(3+));methane;2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;pent-2-ene-2,4-diol;tetrakis(2-phenylpyridine);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine;2-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine
• PubChem CID: 162270716
• Molecular Formula: C157H120Ir5N18O13-2
• Molecular Weight: 3427.88 g/mol
• Exact Mass: 3429.74
• IUPAC Name: 2-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;iridium;tetrakis(iridium(3+));methane;2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;pent-2-ene-2,4-diol;tetrakis(2-phenylpyridine);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine;2-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine
• SMILES: C.CC(O)=CC(C)O.Cc1cc(-c2cccc(Oc3[c-]c(Oc4ccccn4)ccc3)n2)[n-]n1.Cc1cc(C)n(-c2[c-]c(Oc3[c-]c(Oc4ccccn4)ccc3)ccc2)n1.Cn1ccnc1-c1[c-]c(Oc2[c-]c(Oc3ccccn3)ccc2)ccc1.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir].[c-]1c(Oc2[c-]c(-c3ccccn3)ccc2)cccc1Oc1ccccn1.[c-]1c(Oc2[c-]c(Oc3ccccn3)ccc2)cccc1Oc1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C22H17N3O2.C22H14N2O3.C22H14N2O2.C21H15N3O2.C20H14N4O2.4C11H8N.C5H10O2.CH4.5Ir/c1-16-13-17(2)25(24-16)18-7-5-8-19(14-18)26-20-9-6-10-21(15-20)27-22-11-3-4-12-23-22;1-3-13-23-21(11-1)26-19-9-5-7-17(15-19)25-18-8-6-10-20(16-18)27-22-12-2-4-14-24-22;1-3-13-23-21(11-1)17-7-5-8-18(15-17)25-19-9-6-10-20(16-19)26-22-12-2-4-14-24-22;1-24-13-12-23-21(24)16-6-4-7-17(14-16)25-18-8-5-9-19(15-18)26-20-10-2-3-11-22-20;1-14-12-18(24-23-14)17-8-5-10-20(22-17)26-16-7-4-6-15(13-16)25-19-9-2-3-11-21-19;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;;;;/h3-13H,1-2H3;1-14H;1-14H;2-13H,1H3;2-12H,1H3;4*1-6,8-9H;3-4,6-7H,1-2H3;1H4;;;;;/q5*-2;4*-1;;;;4*+3
• InChIKey: MDQKBPYTCRQDFR-UHFFFAOYSA-N
• XLogP: 36.36
• TPSA: 359.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 31
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3427.88
LogP ≤ 5	36.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;iridium;tetrakis(iridium(3+));methane;2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;pent-2-ene-2,4-diol;tetrakis(2-phenylpyridine);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine;2-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine?

The IUPAC name of 2-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;iridium;tetrakis(iridium(3+));methane;2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;pent-2-ene-2,4-diol;tetrakis(2-phenylpyridine);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine;2-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine (CID 162270716) is 2-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;iridium;tetrakis(iridium(3+));methane;2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;pent-2-ene-2,4-diol;tetrakis(2-phenylpyridine);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine;2-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine.

What is the SMILES notation for 2-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;iridium;tetrakis(iridium(3+));methane;2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;pent-2-ene-2,4-diol;tetrakis(2-phenylpyridine);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine;2-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine?

The canonical SMILES for 2-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;iridium;tetrakis(iridium(3+));methane;2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;pent-2-ene-2,4-diol;tetrakis(2-phenylpyridine);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine;2-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine is C.CC(O)=CC(C)O.Cc1cc(-c2cccc(Oc3[c-]c(Oc4ccccn4)ccc3)n2)[n-]n1.Cc1cc(C)n(-c2[c-]c(Oc3[c-]c(Oc4ccccn4)ccc3)ccc2)n1.Cn1ccnc1-c1[c-]c(Oc2[c-]c(Oc3ccccn3)ccc2)ccc1.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir].[c-]1c(Oc2[c-]c(-c3ccccn3)ccc2)cccc1Oc1ccccn1.[c-]1c(Oc2[c-]c(Oc3ccccn3)ccc2)cccc1Oc1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;iridium;tetrakis(iridium(3+));methane;2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;pent-2-ene-2,4-diol;tetrakis(2-phenylpyridine);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine;2-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine?

The InChIKey is MDQKBPYTCRQDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2.C22H14N2O3.C22H14N2O2.C21H15N3O2.C20H14N4O2.4C11H8N.C5H10O2.CH4.5Ir/c1-16-13-17(2)25(24-16)18-7-5-8-19(14-18)26-20-9-6-10-21(15-20)27-22-11-3-4-12-23-22;1-3-13-23-21(11-1)26-19-9-5-7-17(15-19)25-18-8-6-10-20(16-18)27-22-12-2-4-14-24-22;1-3-13-23-21(11-1)17-7-5-8-18(15-17)25-19-9-6-10-20(16-19)26-22-12-2-4-14-24-22;1-24-13-12-23-21(24)16-6-4-7-17(14-16)25-18-8-5-9-19(15-18)26-20-10-2-3-11-22-20;1-14-12-18(24-23-14)17-8-5-10-20(22-17)26-16-7-4-6-15(13-16)25-19-9-2-3-11-21-19;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;;;;/h3-13H,1-2H3;1-14H;1-14H;2-13H,1H3;2-12H,1H3;4*1-6,8-9H;3-4,6-7H,1-2H3;1H4;;;;;/q5*-2;4*-1;;;;4*+3.

What are the key properties of 2-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;iridium;tetrakis(iridium(3+));methane;2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;pent-2-ene-2,4-diol;tetrakis(2-phenylpyridine);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine;2-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine?

2-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;iridium;tetrakis(iridium(3+));methane;2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;pent-2-ene-2,4-diol;tetrakis(2-phenylpyridine);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine;2-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine has a molecular weight of 3427.88 g/mol, XLogP of 36.36, 31 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;iridium;tetrakis(iridium(3+));methane;2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;pent-2-ene-2,4-diol;tetrakis(2-phenylpyridine);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine;2-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine is sourced from PubChem (CID 162270716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).