8-[4-(1-deuteriocyclopentyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(3-deuteriopentan-3-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);methane;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)

C141H140Ir4N12O4-8 — CID 158178637

About 8-[4-(1-deuteriocyclopentyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(3-deuteriopentan-3-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);methane;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)

8-[4-(1-deuteriocyclopentyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(3-deuteriopentan-3-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);methane;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) (PubChem CID 158178637) has the molecular formula C141H140Ir4N12O4-8 and a molecular weight of 2867.81 g/mol. Its IUPAC name is 8-[4-(1-deuteriocyclopentyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(3-deuteriopentan-3-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);methane;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine).

Molecular Properties

• Compound Name: 8-[4-(1-deuteriocyclopentyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(3-deuteriopentan-3-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);methane;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)
• PubChem CID: 158178637
• Molecular Formula: C141H140Ir4N12O4-8
• Molecular Weight: 2867.81 g/mol
• Exact Mass: 2869.17
• IUPAC Name: 8-[4-(1-deuteriocyclopentyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(3-deuteriopentan-3-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);methane;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)
• SMILES: C.C.C.C.[2H]C([2H])([2H])c1cc(-c2[c-]ccc3c2oc2nc(C)ccc23)ncc1C([2H])(C)C([2H])([2H])[2H].[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2nc(C)ccc23)cc1C([2H])(CC)CC.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2nc(C)ccc23)cc1C([2H])([2H])C(C)C.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2nc(C)ccc23)cc1C1([2H])CCCC1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C23H21N2O.C23H23N2O.C22H21N2O.C21H19N2O.4C12H10N.4CH4.4Ir/c1-14-13-24-21(12-20(14)16-6-3-4-7-16)19-9-5-8-17-18-11-10-15(2)25-23(18)26-22(17)19;1-5-16(6-2)20-12-21(24-13-14(20)3)19-9-7-8-17-18-11-10-15(4)25-23(18)26-22(17)19;1-13(2)10-16-11-20(23-12-14(16)3)19-7-5-6-17-18-9-8-15(4)24-22(18)25-21(17)19;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;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;;;;;/h5,8,10-13,16H,3-4,6-7H2,1-2H3;7-8,10-13,16H,5-6H2,1-4H3;5-6,8-9,11-13H,10H2,1-4H3;5-6,8-12H,1-4H3;4*2-5,7-9H,1H3;4*1H4;;;;/q8*-1;;;;;;;;/i1D3,16D;3D3,16D;3D3,10D2;1D3,3D3,12D;4*1D3
• InChIKey: TZGHHWQGNSOYCO-HFBVTRQTSA-N
• XLogP: 37.69
• TPSA: 207.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2867.81
LogP ≤ 5	37.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

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-deuteriocyclopentyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(3-deuteriopentan-3-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);methane;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)?

The IUPAC name of 8-[4-(1-deuteriocyclopentyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(3-deuteriopentan-3-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);methane;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) (CID 158178637) is 8-[4-(1-deuteriocyclopentyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(3-deuteriopentan-3-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);methane;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine).

What is the SMILES notation for 8-[4-(1-deuteriocyclopentyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(3-deuteriopentan-3-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);methane;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)?

The canonical SMILES for 8-[4-(1-deuteriocyclopentyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(3-deuteriopentan-3-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);methane;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) is C.C.C.C.[2H]C([2H])([2H])c1cc(-c2[c-]ccc3c2oc2nc(C)ccc23)ncc1C([2H])(C)C([2H])([2H])[2H].[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2nc(C)ccc23)cc1C([2H])(CC)CC.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2nc(C)ccc23)cc1C([2H])([2H])C(C)C.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2nc(C)ccc23)cc1C1([2H])CCCC1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 8-[4-(1-deuteriocyclopentyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(3-deuteriopentan-3-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);methane;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)?

The InChIKey is TZGHHWQGNSOYCO-HFBVTRQTSA-N. The full InChI is InChI=1S/C23H21N2O.C23H23N2O.C22H21N2O.C21H19N2O.4C12H10N.4CH4.4Ir/c1-14-13-24-21(12-20(14)16-6-3-4-7-16)19-9-5-8-17-18-11-10-15(2)25-23(18)26-22(17)19;1-5-16(6-2)20-12-21(24-13-14(20)3)19-9-7-8-17-18-11-10-15(4)25-23(18)26-22(17)19;1-13(2)10-16-11-20(23-12-14(16)3)19-7-5-6-17-18-9-8-15(4)24-22(18)25-21(17)19;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;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;;;;;/h5,8,10-13,16H,3-4,6-7H2,1-2H3;7-8,10-13,16H,5-6H2,1-4H3;5-6,8-9,11-13H,10H2,1-4H3;5-6,8-12H,1-4H3;4*2-5,7-9H,1H3;4*1H4;;;;/q8*-1;;;;;;;;/i1D3,16D;3D3,16D;3D3,10D2;1D3,3D3,12D;4*1D3;;;;;;;;.

What are the key properties of 8-[4-(1-deuteriocyclopentyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(3-deuteriopentan-3-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);methane;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)?

8-[4-(1-deuteriocyclopentyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(3-deuteriopentan-3-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);methane;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) has a molecular weight of 2867.81 g/mol, XLogP of 37.69, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(1-deuteriocyclopentyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(3-deuteriopentan-3-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);methane;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) is sourced from PubChem (CID 158178637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).