8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-5-(trideuteriomethyl)pyridine

C107H103Ir3N9O3-6 — CID 159564685

About 8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-5-(trideuteriomethyl)pyridine

8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-5-(trideuteriomethyl)pyridine (PubChem CID 159564685) has the molecular formula C107H103Ir3N9O3-6 and a molecular weight of 2181.97 g/mol. Its IUPAC name is 8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-5-(trideuteriomethyl)pyridine.

Molecular Properties

• Compound Name: 8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-5-(trideuteriomethyl)pyridine
• PubChem CID: 159564685
• Molecular Formula: C107H103Ir3N9O3-6
• Molecular Weight: 2181.97 g/mol
• Exact Mass: 2182.97
• IUPAC Name: 8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-5-(trideuteriomethyl)pyridine
• SMILES: [2H]C([2H])([2H])C([2H])(C)c1cnc(-c2[c-]ccc3c2oc2nc(C)ccc23)cc1C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].[2H]C([2H])([2H])C([2H])(C)c1cnc(-c2[c-]ccc3c2oc2ncccc23)cc1C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].[2H]C([2H])([2H])c1cc(-c2[c-]ccc3c2oc2nc(C)ccc23)ncc1C([2H])(C)C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C([2H])(C)C([2H])([2H])[2H].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C23H23N2O.C22H21N2O.C21H19N2O.C15H16N.2C13H12N.3Ir/c1-13(2)19-11-21(24-12-20(19)14(3)4)18-8-6-7-16-17-10-9-15(5)25-23(17)26-22(16)18;1-13(2)18-11-20(24-12-19(18)14(3)4)17-8-5-7-15-16-9-6-10-23-22(16)25-21(15)17;1-12(2)18-11-22-19(10-13(18)3)17-7-5-6-15-16-9-8-14(4)23-21(16)24-20(15)17;1-11(2)14-9-15(16-10-12(14)3)13-7-5-4-6-8-13;2*1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;;;/h6-7,9-14H,1-5H3;5-7,9-14H,1-4H3;5-6,8-12H,1-4H3;4-7,9-11H,1-3H3;2*3-6,8-9H,1-2H3;;;/q6*-1;;;/i2*1D3,2D3,3D3,13D,14D;1D3,3D3,12D;1D3,3D3,11D;2*2D3
• InChIKey: IRUWLOASXXXHJP-FJPBUUFMSA-N
• XLogP: 28.38
• TPSA: 155.43 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2181.97
LogP ≤ 5	28.38
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-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-5-(trideuteriomethyl)pyridine?

The IUPAC name of 8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-5-(trideuteriomethyl)pyridine (CID 159564685) is 8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-5-(trideuteriomethyl)pyridine.

What is the SMILES notation for 8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-5-(trideuteriomethyl)pyridine?

The canonical SMILES for 8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-5-(trideuteriomethyl)pyridine is [2H]C([2H])([2H])C([2H])(C)c1cnc(-c2[c-]ccc3c2oc2nc(C)ccc23)cc1C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].[2H]C([2H])([2H])C([2H])(C)c1cnc(-c2[c-]ccc3c2oc2ncccc23)cc1C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].[2H]C([2H])([2H])c1cc(-c2[c-]ccc3c2oc2nc(C)ccc23)ncc1C([2H])(C)C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C([2H])(C)C([2H])([2H])[2H].[Ir].[Ir].[Ir].

What is the InChIKey of 8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-5-(trideuteriomethyl)pyridine?

The InChIKey is IRUWLOASXXXHJP-FJPBUUFMSA-N. The full InChI is InChI=1S/C23H23N2O.C22H21N2O.C21H19N2O.C15H16N.2C13H12N.3Ir/c1-13(2)19-11-21(24-12-20(19)14(3)4)18-8-6-7-16-17-10-9-15(5)25-23(17)26-22(16)18;1-13(2)18-11-20(24-12-19(18)14(3)4)17-8-5-7-15-16-9-6-10-23-22(16)25-21(15)17;1-12(2)18-11-22-19(10-13(18)3)17-7-5-6-15-16-9-8-14(4)23-21(16)24-20(15)17;1-11(2)14-9-15(16-10-12(14)3)13-7-5-4-6-8-13;2*1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;;;/h6-7,9-14H,1-5H3;5-7,9-14H,1-4H3;5-6,8-12H,1-4H3;4-7,9-11H,1-3H3;2*3-6,8-9H,1-2H3;;;/q6*-1;;;/i2*1D3,2D3,3D3,13D,14D;1D3,3D3,12D;1D3,3D3,11D;2*2D3;;;.

What are the key properties of 8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-5-(trideuteriomethyl)pyridine?

8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-5-(trideuteriomethyl)pyridine has a molecular weight of 2181.97 g/mol, XLogP of 28.38, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-5-(trideuteriomethyl)pyridine is sourced from PubChem (CID 159564685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).