8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2-deuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine);8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide

C160H135Ir5N15O5-10 — CID 161348890

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

8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2-deuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine);8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide (PubChem CID 161348890) has the molecular formula C160H135Ir5N15O5-10 and a molecular weight of 3343.23 g/mol. Its IUPAC name is 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2-deuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine);8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

Molecular Properties

• Compound Name: 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2-deuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine);8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• PubChem CID: 161348890
• Molecular Formula: C160H135Ir5N15O5-10
• Molecular Weight: 3343.23 g/mol
• Exact Mass: 3345.11
• IUPAC Name: 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2-deuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine);8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• SMILES: [2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2ncccc23)c1.[2H]C([2H])([2H])c1cc(-c2[c-]ccc3c2oc2ncccc23)ncc1C(C)C.[2H]C([2H])([2H])c1cc(-c2[c-]ccc3c2oc2ncccc23)ncc1C([2H])(C)C.[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])c1ccc2c(n1)oc1c(-c3cc(C([2H])(C)C([2H])([2H])[2H])ccn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C([2H])(C)C)ccn3)[c-]ccc12.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/4C20H17N2O.C19H15N2O.C13H12N.4C12H10N.5Ir/c2*1-12(2)17-11-22-18(10-13(17)3)16-7-4-6-14-15-8-5-9-21-20(15)23-19(14)16;2*1-12(2)14-9-10-21-18(11-14)17-6-4-5-15-16-8-7-13(3)22-20(16)23-19(15)17;1-12(2)13-8-10-20-17(11-13)16-6-3-5-14-15-7-4-9-21-19(15)22-18(14)16;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;;/h2*4-6,8-12H,1-3H3;2*4-5,7-12H,1-3H3;3-5,7-12H,1-2H3;3-6,8-9H,1-2H3;4*2-5,7-9H,1H3;;;;;/q10*-1;;;;;/i3D3,12D;3D3;1D3,3D3,12D;3D3,12D;12D;2D3;4*1D3
• InChIKey: NTHTYQCXQLWODZ-JVDSSJEJSA-N
• XLogP: 40.65
• TPSA: 259.05 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3343.23
LogP ≤ 5	40.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2-deuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine);8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The IUPAC name of 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2-deuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine);8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide (CID 161348890) is 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2-deuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine);8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

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

The canonical SMILES for 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2-deuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine);8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide is [2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2ncccc23)c1.[2H]C([2H])([2H])c1cc(-c2[c-]ccc3c2oc2ncccc23)ncc1C(C)C.[2H]C([2H])([2H])c1cc(-c2[c-]ccc3c2oc2ncccc23)ncc1C([2H])(C)C.[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])c1ccc2c(n1)oc1c(-c3cc(C([2H])(C)C([2H])([2H])[2H])ccn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C([2H])(C)C)ccn3)[c-]ccc12.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[Ir].[Ir].

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

The InChIKey is NTHTYQCXQLWODZ-JVDSSJEJSA-N. The full InChI is InChI=1S/4C20H17N2O.C19H15N2O.C13H12N.4C12H10N.5Ir/c2*1-12(2)17-11-22-18(10-13(17)3)16-7-4-6-14-15-8-5-9-21-20(15)23-19(14)16;2*1-12(2)14-9-10-21-18(11-14)17-6-4-5-15-16-8-7-13(3)22-20(16)23-19(15)17;1-12(2)13-8-10-20-17(11-13)16-6-3-5-14-15-7-4-9-21-19(15)22-18(14)16;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;;/h2*4-6,8-12H,1-3H3;2*4-5,7-12H,1-3H3;3-5,7-12H,1-2H3;3-6,8-9H,1-2H3;4*2-5,7-9H,1H3;;;;;/q10*-1;;;;;/i3D3,12D;3D3;1D3,3D3,12D;3D3,12D;12D;2D3;4*1D3;;;;;.

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

8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2-deuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine);8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide has a molecular weight of 3343.23 g/mol, XLogP of 40.65, 25 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2-deuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine);8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide is sourced from PubChem (CID 161348890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).