8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-(1-deuteriocyclohexyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tris(iridium)

C134H155Ir3N9O3Si3-6 — CID 163664908

About 8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-(1-deuteriocyclohexyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tris(iridium)

8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-(1-deuteriocyclohexyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tris(iridium) (PubChem CID 163664908) has the molecular formula C134H155Ir3N9O3Si3-6 and a molecular weight of 2618.79 g/mol. Its IUPAC name is 8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-(1-deuteriocyclohexyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tris(iridium).

Molecular Properties

• Compound Name: 8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-(1-deuteriocyclohexyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tris(iridium)
• PubChem CID: 163664908
• Molecular Formula: C134H155Ir3N9O3Si3-6
• Molecular Weight: 2618.79 g/mol
• Exact Mass: 2619.16
• IUPAC Name: 8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-(1-deuteriocyclohexyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tris(iridium)
• SMILES: [2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C([2H])(C)C4CCCCC4)ccn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C([2H])([2H])C4CCCC4)ccn3)[c-]ccc12.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)(C)C.[2H]C1(c2ccc3c(n2)oc2c(-c4cc(C([2H])([2H])C5CCCCC5)ccn4)[c-]ccc23)CCCCC1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C29H31N2O.C25H25N2O.C23H21N2O.3C19H26NSi.3Ir/c1-3-8-20(9-4-1)18-21-16-17-30-27(19-21)25-13-7-12-23-24-14-15-26(22-10-5-2-6-11-22)31-29(24)32-28(23)25;1-16-11-12-21-20-9-6-10-22(24(20)28-25(21)27-16)23-15-19(13-14-26-23)17(2)18-7-4-3-5-8-18;1-15-9-10-19-18-7-4-8-20(22(18)26-23(19)25-15)21-14-17(11-12-24-21)13-16-5-2-3-6-16;3*1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;;;/h7,12,14-17,19-20,22H,1-6,8-11,18H2;6,9,11-15,17-18H,3-5,7-8H2,1-2H3;4,7,9-12,14,16H,2-3,5-6,13H2,1H3;3*7-10,12,14H,13H2,1-6H3;;;/q6*-1;;;/i18D2,22D;1D3,17D;1D3,13D2;3*13D2
• InChIKey: BVUIXLBWGBGYKD-DCSHLYDMSA-N
• XLogP: 34.77
• TPSA: 155.43 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 21
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2618.79
LogP ≤ 5	34.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-(1-deuteriocyclohexyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tris(iridium)?

The IUPAC name of 8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-(1-deuteriocyclohexyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tris(iridium) (CID 163664908) is 8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-(1-deuteriocyclohexyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tris(iridium).

What is the SMILES notation for 8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-(1-deuteriocyclohexyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tris(iridium)?

The canonical SMILES for 8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-(1-deuteriocyclohexyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tris(iridium) is [2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C([2H])(C)C4CCCCC4)ccn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C([2H])([2H])C4CCCC4)ccn3)[c-]ccc12.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)(C)C.[2H]C1(c2ccc3c(n2)oc2c(-c4cc(C([2H])([2H])C5CCCCC5)ccn4)[c-]ccc23)CCCCC1.[Ir].[Ir].[Ir].

What is the InChIKey of 8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-(1-deuteriocyclohexyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tris(iridium)?

The InChIKey is BVUIXLBWGBGYKD-DCSHLYDMSA-N. The full InChI is InChI=1S/C29H31N2O.C25H25N2O.C23H21N2O.3C19H26NSi.3Ir/c1-3-8-20(9-4-1)18-21-16-17-30-27(19-21)25-13-7-12-23-24-14-15-26(22-10-5-2-6-11-22)31-29(24)32-28(23)25;1-16-11-12-21-20-9-6-10-22(24(20)28-25(21)27-16)23-15-19(13-14-26-23)17(2)18-7-4-3-5-8-18;1-15-9-10-19-18-7-4-8-20(22(18)26-23(19)25-15)21-14-17(11-12-24-21)13-16-5-2-3-6-16;3*1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;;;/h7,12,14-17,19-20,22H,1-6,8-11,18H2;6,9,11-15,17-18H,3-5,7-8H2,1-2H3;4,7,9-12,14,16H,2-3,5-6,13H2,1H3;3*7-10,12,14H,13H2,1-6H3;;;/q6*-1;;;/i18D2,22D;1D3,17D;1D3,13D2;3*13D2;;;.

What are the key properties of 8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-(1-deuteriocyclohexyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tris(iridium)?

8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-(1-deuteriocyclohexyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tris(iridium) has a molecular weight of 2618.79 g/mol, XLogP of 34.77, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-(1-deuteriocyclohexyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tris(iridium) is sourced from PubChem (CID 163664908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).