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

C148H148Ir4N12O4-8 — CID 157285342

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

5-(2-deuteriopropan-2-yl)-2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine (PubChem CID 157285342) has the molecular formula C148H148Ir4N12O4-8 and a molecular weight of 2978.07 g/mol. Its IUPAC name is 5-(2-deuteriopropan-2-yl)-2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine.

Molecular Properties

• Compound Name: 5-(2-deuteriopropan-2-yl)-2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine
• PubChem CID: 157285342
• Molecular Formula: C148H148Ir4N12O4-8
• Molecular Weight: 2978.07 g/mol
• Exact Mass: 2979.34
• IUPAC Name: 5-(2-deuteriopropan-2-yl)-2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine
• SMILES: [2H]C([2H])([2H])c1cc(-c2[c-]cc(C([2H])(C)C)c3c2oc2nc(C)cc(C([2H])([2H])[2H])c23)ncc1C([2H])(C)C([2H])([2H])[2H].[2H]C([2H])([2H])c1cc(-c2[c-]cc(C([2H])(C)C)c3c2oc2nc(C)cc(C([2H])([2H])[2H])c23)ncc1C([2H])(C)C([2H])([2H])[2H].[2H]C([2H])([2H])c1cc(-c2[c-]cc(C([2H])(C)C)c3c2oc2nc(C)cc(C([2H])([2H])[2H])c23)ncc1C([2H])(C)C([2H])([2H])[2H].[2H]C([2H])([2H])c1cc(C)nc2oc3c(-c4cc(C([2H])(C)C([2H])([2H])[2H])ccn4)[c-]cc(C([2H])(C)C)c3c12.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/3C25H27N2O.C24H25N2O.2C13H12N.C12H10N.C11H8N.4Ir/c3*1-13(2)18-8-9-19(21-11-15(5)20(12-26-21)14(3)4)24-23(18)22-16(6)10-17(7)27-25(22)28-24;1-13(2)17-9-10-25-20(12-17)19-8-7-18(14(3)4)22-21-15(5)11-16(6)26-24(21)27-23(19)22;2*1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h3*8,10-14H,1-7H3;7,9-14H,1-6H3;2*3-6,8-9H,1-2H3;2-5,7-9H,1H3;1-6,8-9H;;;;/q8*-1;;;;/i3*3D3,5D3,6D3,13D,14D;1D3,5D3,13D,14D;2*2D3;1D3
• InChIKey: MEULMIWYFIOSGI-HQAMKQMHSA-N
• XLogP: 39.48
• TPSA: 207.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 30
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2978.07
LogP ≤ 5	39.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of 5-(2-deuteriopropan-2-yl)-2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine (CID 157285342) is 5-(2-deuteriopropan-2-yl)-2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine.

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

The canonical SMILES for 5-(2-deuteriopropan-2-yl)-2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine is [2H]C([2H])([2H])c1cc(-c2[c-]cc(C([2H])(C)C)c3c2oc2nc(C)cc(C([2H])([2H])[2H])c23)ncc1C([2H])(C)C([2H])([2H])[2H].[2H]C([2H])([2H])c1cc(-c2[c-]cc(C([2H])(C)C)c3c2oc2nc(C)cc(C([2H])([2H])[2H])c23)ncc1C([2H])(C)C([2H])([2H])[2H].[2H]C([2H])([2H])c1cc(-c2[c-]cc(C([2H])(C)C)c3c2oc2nc(C)cc(C([2H])([2H])[2H])c23)ncc1C([2H])(C)C([2H])([2H])[2H].[2H]C([2H])([2H])c1cc(C)nc2oc3c(-c4cc(C([2H])(C)C([2H])([2H])[2H])ccn4)[c-]cc(C([2H])(C)C)c3c12.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.

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

The InChIKey is MEULMIWYFIOSGI-HQAMKQMHSA-N. The full InChI is InChI=1S/3C25H27N2O.C24H25N2O.2C13H12N.C12H10N.C11H8N.4Ir/c3*1-13(2)18-8-9-19(21-11-15(5)20(12-26-21)14(3)4)24-23(18)22-16(6)10-17(7)27-25(22)28-24;1-13(2)17-9-10-25-20(12-17)19-8-7-18(14(3)4)22-21-15(5)11-16(6)26-24(21)27-23(19)22;2*1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h3*8,10-14H,1-7H3;7,9-14H,1-6H3;2*3-6,8-9H,1-2H3;2-5,7-9H,1H3;1-6,8-9H;;;;/q8*-1;;;;/i3*3D3,5D3,6D3,13D,14D;1D3,5D3,13D,14D;2*2D3;1D3;;;;;.

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

5-(2-deuteriopropan-2-yl)-2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine has a molecular weight of 2978.07 g/mol, XLogP of 39.48, 30 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-deuteriopropan-2-yl)-2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine is sourced from PubChem (CID 157285342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).