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)-4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium)

C145H149Ir3N9O3-6 — CID 159936283

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)-4-methyl-2-[3-phenyl-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)-4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium) (PubChem CID 159936283) has the molecular formula C145H149Ir3N9O3-6 and a molecular weight of 2662.62 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)-4-methyl-2-[3-phenyl-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)-4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium)
• PubChem CID: 159936283
• Molecular Formula: C145H149Ir3N9O3-6
• Molecular Weight: 2662.62 g/mol
• Exact Mass: 2663.20
• 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)-4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium)
• SMILES: [2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c(C([2H])([2H])C(C)(C)C)cn2)cc1-c1ccccc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c(C([2H])([2H])C(C)(C)C)cn2)cc1-c1ccccc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c(C([2H])([2H])C(C)(C)C)cn2)cc1-c1ccccc1.[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.3C24H26N.C23H21N2O.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;3*1-17-11-12-20(14-22(17)19-9-7-6-8-10-19)23-13-18(2)21(16-25-23)15-24(3,4)5;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;;;/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;3*6-11,13-14,16H,15H2,1-5H3;5,8,10-14,16H,2-4,6-7H2,1H3;;;/q6*-1;;;/i16D2;14D2;3*1D3,15D2;16D
• InChIKey: RXGDRXVENXHFJA-OKCNLTRASA-N
• XLogP: 38.64
• TPSA: 155.43 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2662.62
LogP ≤ 5	38.64
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)-4-methyl-2-[3-phenyl-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)-4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium) (CID 159936283) 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)-4-methyl-2-[3-phenyl-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)-4-methyl-2-[3-phenyl-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)-4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium) is [2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c(C([2H])([2H])C(C)(C)C)cn2)cc1-c1ccccc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c(C([2H])([2H])C(C)(C)C)cn2)cc1-c1ccccc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c(C([2H])([2H])C(C)(C)C)cn2)cc1-c1ccccc1.[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)-4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium)?

The InChIKey is RXGDRXVENXHFJA-OKCNLTRASA-N. The full InChI is InChI=1S/C26H27N2O.C24H23N2O.3C24H26N.C23H21N2O.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;3*1-17-11-12-20(14-22(17)19-9-7-6-8-10-19)23-13-18(2)21(16-25-23)15-24(3,4)5;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;;;/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;3*6-11,13-14,16H,15H2,1-5H3;5,8,10-14,16H,2-4,6-7H2,1H3;;;/q6*-1;;;/i16D2;14D2;3*1D3,15D2;16D;;;.

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)-4-methyl-2-[3-phenyl-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)-4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium) has a molecular weight of 2662.62 g/mol, XLogP of 38.64, 20 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)-4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium) is sourced from PubChem (CID 159936283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).