8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[dideuterio-(1,4-dimethylcyclohexyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium)

C124H131Ir3N9O3-6 — CID 158816475

About 8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[dideuterio-(1,4-dimethylcyclohexyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium)

8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[dideuterio-(1,4-dimethylcyclohexyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium) (PubChem CID 158816475) has the molecular formula C124H131Ir3N9O3-6 and a molecular weight of 2392.25 g/mol. Its IUPAC name is 8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[dideuterio-(1,4-dimethylcyclohexyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium).

Molecular Properties

• Compound Name: 8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[dideuterio-(1,4-dimethylcyclohexyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium)
• PubChem CID: 158816475
• Molecular Formula: C124H131Ir3N9O3-6
• Molecular Weight: 2392.25 g/mol
• Exact Mass: 2393.06
• IUPAC Name: 8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[dideuterio-(1,4-dimethylcyclohexyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium)
• SMILES: [2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])C(C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])C(C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])C(C)(C)C)cn2)cc1.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1)C1(C)CCC(C)CC1.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1)C1CCCCC1.[2H]C1(c2ccnc(-c3[c-]ccc4c3oc3nc(C)ccc34)c2)CCCCC1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C26H27N2O.C24H23N2O.C23H21N2O.3C17H20N.3Ir/c1-17-9-12-26(3,13-10-17)16-19-11-14-27-23(15-19)22-6-4-5-20-21-8-7-18(2)28-25(21)29-24(20)22;1-16-10-11-20-19-8-5-9-21(23(19)27-24(20)26-16)22-15-18(12-13-25-22)14-17-6-3-2-4-7-17;1-15-10-11-19-18-8-5-9-20(22(18)26-23(19)25-15)21-14-17(12-13-24-21)16-6-3-2-4-7-16;3*1-13-5-8-15(9-6-13)16-10-7-14(12-18-16)11-17(2,3)4;;;/h4-5,7-8,11,14-15,17H,9-10,12-13,16H2,1-3H3;5,8,10-13,15,17H,2-4,6-7,14H2,1H3;5,8,10-14,16H,2-4,6-7H2,1H3;3*5-8,10,12H,11H2,1-4H3;;;/q6*-1;;;/i16D2;14D2;16D;3*1D3,11D2
• InChIKey: PLFKFLMOWUKMPM-MRYDZLNSSA-N
• XLogP: 32.71
• TPSA: 155.43 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2392.25
LogP ≤ 5	32.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[dideuterio-(1,4-dimethylcyclohexyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium)?

The IUPAC name of 8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[dideuterio-(1,4-dimethylcyclohexyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium) (CID 158816475) is 8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[dideuterio-(1,4-dimethylcyclohexyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium).

What is the SMILES notation for 8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[dideuterio-(1,4-dimethylcyclohexyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium)?

The canonical SMILES for 8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[dideuterio-(1,4-dimethylcyclohexyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium) is [2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])C(C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])C(C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])C(C)(C)C)cn2)cc1.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1)C1(C)CCC(C)CC1.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1)C1CCCCC1.[2H]C1(c2ccnc(-c3[c-]ccc4c3oc3nc(C)ccc34)c2)CCCCC1.[Ir].[Ir].[Ir].

What is the InChIKey of 8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[dideuterio-(1,4-dimethylcyclohexyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium)?

The InChIKey is PLFKFLMOWUKMPM-MRYDZLNSSA-N. The full InChI is InChI=1S/C26H27N2O.C24H23N2O.C23H21N2O.3C17H20N.3Ir/c1-17-9-12-26(3,13-10-17)16-19-11-14-27-23(15-19)22-6-4-5-20-21-8-7-18(2)28-25(21)29-24(20)22;1-16-10-11-20-19-8-5-9-21(23(19)27-24(20)26-16)22-15-18(12-13-25-22)14-17-6-3-2-4-7-17;1-15-10-11-19-18-8-5-9-20(22(18)26-23(19)25-15)21-14-17(12-13-24-21)16-6-3-2-4-7-16;3*1-13-5-8-15(9-6-13)16-10-7-14(12-18-16)11-17(2,3)4;;;/h4-5,7-8,11,14-15,17H,9-10,12-13,16H2,1-3H3;5,8,10-13,15,17H,2-4,6-7,14H2,1H3;5,8,10-14,16H,2-4,6-7H2,1H3;3*5-8,10,12H,11H2,1-4H3;;;/q6*-1;;;/i16D2;14D2;16D;3*1D3,11D2;;;.

What are the key properties of 8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[dideuterio-(1,4-dimethylcyclohexyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium)?

8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[dideuterio-(1,4-dimethylcyclohexyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium) has a molecular weight of 2392.25 g/mol, XLogP of 32.71, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[dideuterio-(1,4-dimethylcyclohexyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium) is sourced from PubChem (CID 158816475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).