2-ethyl-8-(5-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-(2-methylpropyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenyl-5-(trideuteriomethyl)pyridine);2-(1,2,2-trideuteriocyclopentyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide

C165H141Ir5N15O5-10 — CID 159482380

About 2-ethyl-8-(5-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-(2-methylpropyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenyl-5-(trideuteriomethyl)pyridine);2-(1,2,2-trideuteriocyclopentyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide

2-ethyl-8-(5-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-(2-methylpropyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenyl-5-(trideuteriomethyl)pyridine);2-(1,2,2-trideuteriocyclopentyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide (PubChem CID 159482380) has the molecular formula C165H141Ir5N15O5-10 and a molecular weight of 3407.32 g/mol. Its IUPAC name is 2-ethyl-8-(5-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-(2-methylpropyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenyl-5-(trideuteriomethyl)pyridine);2-(1,2,2-trideuteriocyclopentyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

Molecular Properties

• Compound Name: 2-ethyl-8-(5-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-(2-methylpropyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenyl-5-(trideuteriomethyl)pyridine);2-(1,2,2-trideuteriocyclopentyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• PubChem CID: 159482380
• Molecular Formula: C165H141Ir5N15O5-10
• Molecular Weight: 3407.32 g/mol
• Exact Mass: 3409.14
• IUPAC Name: 2-ethyl-8-(5-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-(2-methylpropyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenyl-5-(trideuteriomethyl)pyridine);2-(1,2,2-trideuteriocyclopentyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• SMILES: CCc1ccc(-c2[c-]ccc3c2oc2nc(C)ccc23)nc1.CCc1ccc(-c2[c-]ccc3c2oc2nc(CC)ccc23)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]ccc3c2oc2nc(C4([2H])C([2H])([2H])CCCC4([2H])[2H])ccc23)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]ccc3c2oc2nc(C4([2H])CCCC4([2H])[2H])ccc23)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]ccc3c2oc2nc(CC(C)C)ccc23)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])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C23H21N2O.C22H19N2O.C21H19N2O.C20H17N2O.C19H15N2O.5C12H10N.5Ir/c1-15-10-12-21(24-14-15)19-9-5-8-17-18-11-13-20(16-6-3-2-4-7-16)25-23(18)26-22(17)19;1-14-9-11-20(23-13-14)18-8-4-7-16-17-10-12-19(15-5-2-3-6-15)24-22(17)25-21(16)18;1-13(2)11-15-8-9-17-16-5-4-6-18(20(16)24-21(17)23-15)19-10-7-14(3)12-22-19;1-3-13-8-11-18(21-12-13)17-7-5-6-15-16-10-9-14(4-2)22-20(16)23-19(15)17;1-3-13-8-10-17(20-11-13)16-6-4-5-14-15-9-7-12(2)21-19(15)22-18(14)16;5*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;;/h5,8,10-14,16H,2-4,6-7H2,1H3;4,7,9-13,15H,2-3,5-6H2,1H3;4-5,7-10,12-13H,11H2,1-3H3;5-6,8-12H,3-4H2,1-2H3;4-5,7-11H,3H2,1-2H3;5*2-5,7-9H,1H3;;;;;/q10*-1;;;;;/i1D3,6D2,7D2,16D;1D3,5D2,15D;3D3;;;5*1D3
• InChIKey: BLPWHXCLQBVSOS-FEMHXLRISA-N
• XLogP: 41.31
• TPSA: 259.05 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3407.32
LogP ≤ 5	41.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-(5-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-(2-methylpropyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenyl-5-(trideuteriomethyl)pyridine);2-(1,2,2-trideuteriocyclopentyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The IUPAC name of 2-ethyl-8-(5-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-(2-methylpropyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenyl-5-(trideuteriomethyl)pyridine);2-(1,2,2-trideuteriocyclopentyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide (CID 159482380) is 2-ethyl-8-(5-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-(2-methylpropyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenyl-5-(trideuteriomethyl)pyridine);2-(1,2,2-trideuteriocyclopentyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

What is the SMILES notation for 2-ethyl-8-(5-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-(2-methylpropyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenyl-5-(trideuteriomethyl)pyridine);2-(1,2,2-trideuteriocyclopentyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The canonical SMILES for 2-ethyl-8-(5-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-(2-methylpropyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenyl-5-(trideuteriomethyl)pyridine);2-(1,2,2-trideuteriocyclopentyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide is CCc1ccc(-c2[c-]ccc3c2oc2nc(C)ccc23)nc1.CCc1ccc(-c2[c-]ccc3c2oc2nc(CC)ccc23)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]ccc3c2oc2nc(C4([2H])C([2H])([2H])CCCC4([2H])[2H])ccc23)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]ccc3c2oc2nc(C4([2H])CCCC4([2H])[2H])ccc23)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]ccc3c2oc2nc(CC(C)C)ccc23)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])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-ethyl-8-(5-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-(2-methylpropyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenyl-5-(trideuteriomethyl)pyridine);2-(1,2,2-trideuteriocyclopentyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The InChIKey is BLPWHXCLQBVSOS-FEMHXLRISA-N. The full InChI is InChI=1S/C23H21N2O.C22H19N2O.C21H19N2O.C20H17N2O.C19H15N2O.5C12H10N.5Ir/c1-15-10-12-21(24-14-15)19-9-5-8-17-18-11-13-20(16-6-3-2-4-7-16)25-23(18)26-22(17)19;1-14-9-11-20(23-13-14)18-8-4-7-16-17-10-12-19(15-5-2-3-6-15)24-22(17)25-21(16)18;1-13(2)11-15-8-9-17-16-5-4-6-18(20(16)24-21(17)23-15)19-10-7-14(3)12-22-19;1-3-13-8-11-18(21-12-13)17-7-5-6-15-16-10-9-14(4-2)22-20(16)23-19(15)17;1-3-13-8-10-17(20-11-13)16-6-4-5-14-15-9-7-12(2)21-19(15)22-18(14)16;5*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;;/h5,8,10-14,16H,2-4,6-7H2,1H3;4,7,9-13,15H,2-3,5-6H2,1H3;4-5,7-10,12-13H,11H2,1-3H3;5-6,8-12H,3-4H2,1-2H3;4-5,7-11H,3H2,1-2H3;5*2-5,7-9H,1H3;;;;;/q10*-1;;;;;/i1D3,6D2,7D2,16D;1D3,5D2,15D;3D3;;;5*1D3;;;;;.

What are the key properties of 2-ethyl-8-(5-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-(2-methylpropyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenyl-5-(trideuteriomethyl)pyridine);2-(1,2,2-trideuteriocyclopentyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

2-ethyl-8-(5-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-(2-methylpropyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenyl-5-(trideuteriomethyl)pyridine);2-(1,2,2-trideuteriocyclopentyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide has a molecular weight of 3407.32 g/mol, XLogP of 41.31, 25 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-8-(5-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-(2-methylpropyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenyl-5-(trideuteriomethyl)pyridine);2-(1,2,2-trideuteriocyclopentyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide is sourced from PubChem (CID 159482380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).