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

C137H126Ir4N12O4-8 — CID 162224926

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

8-[4,5-bis(1,1-dideuterioethyl)-2-pyridinyl]-2-methyl-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-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-(1,1-dideuterio-2-methylpropyl)-4-methyl-2-phenylpyridine;5-(1,1-dideuterio-2-methylpropyl)-2-phenylpyridine;8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine) (PubChem CID 162224926) has the molecular formula C137H126Ir4N12O4-8 and a molecular weight of 2791.57 g/mol. Its IUPAC name is 8-[4,5-bis(1,1-dideuterioethyl)-2-pyridinyl]-2-methyl-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-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-(1,1-dideuterio-2-methylpropyl)-4-methyl-2-phenylpyridine;5-(1,1-dideuterio-2-methylpropyl)-2-phenylpyridine;8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine).

Molecular Properties

• Compound Name: 8-[4,5-bis(1,1-dideuterioethyl)-2-pyridinyl]-2-methyl-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-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-(1,1-dideuterio-2-methylpropyl)-4-methyl-2-phenylpyridine;5-(1,1-dideuterio-2-methylpropyl)-2-phenylpyridine;8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine)
• PubChem CID: 162224926
• Molecular Formula: C137H126Ir4N12O4-8
• Molecular Weight: 2791.57 g/mol
• Exact Mass: 2792.97
• IUPAC Name: 8-[4,5-bis(1,1-dideuterioethyl)-2-pyridinyl]-2-methyl-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-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-(1,1-dideuterio-2-methylpropyl)-4-methyl-2-phenylpyridine;5-(1,1-dideuterio-2-methylpropyl)-2-phenylpyridine;8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine)
• SMILES: [2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1.[2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2ncccc23)c1.[2H]C([2H])(C)c1cnc(-c2[c-]ccc3c2oc2nc(C)ccc23)cc1C([2H])([2H])C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])(c1ccc(-c2[c-]cccc2)nc1)C(C)C.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2ncccc23)c1)C(C)C.[2H]C([2H])(c1cnc(-c2[c-]cccc2)cc1C)C(C)C.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C21H19N2O.2C20H17N2O.C19H15N2O.C16H18N.C15H16N.2C13H12N.4Ir/c1-4-14-11-19(22-12-15(14)5-2)18-8-6-7-16-17-10-9-13(3)23-21(17)24-20(16)18;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;1-13(2)11-14-8-10-21-18(12-14)17-6-3-5-15-16-7-4-9-22-20(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;1-12(2)9-15-11-17-16(10-13(15)3)14-7-5-4-6-8-14;1-12(2)10-13-8-9-15(16-11-13)14-6-4-3-5-7-14;2*1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;;;;/h6-7,9-12H,4-5H2,1-3H3;4-5,7-12H,1-3H3;3-5,7-10,12-13H,11H2,1-2H3;3-5,7-12H,1-2H3;4-7,10-12H,9H2,1-3H3;3-6,8-9,11-12H,10H2,1-2H3;2*3-6,8-9H,1-2H3;;;;/q8*-1;;;;/i4D2,5D2;12D;11D2;12D;9D2;10D2;2*2D3
• InChIKey: NZTBOFQMGDOOTL-AQFOCWLVSA-N
• XLogP: 34.68
• TPSA: 207.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2791.57
LogP ≤ 5	34.68
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-[4,5-bis(1,1-dideuterioethyl)-2-pyridinyl]-2-methyl-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-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-(1,1-dideuterio-2-methylpropyl)-4-methyl-2-phenylpyridine;5-(1,1-dideuterio-2-methylpropyl)-2-phenylpyridine;8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine)?

The IUPAC name of 8-[4,5-bis(1,1-dideuterioethyl)-2-pyridinyl]-2-methyl-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-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-(1,1-dideuterio-2-methylpropyl)-4-methyl-2-phenylpyridine;5-(1,1-dideuterio-2-methylpropyl)-2-phenylpyridine;8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine) (CID 162224926) is 8-[4,5-bis(1,1-dideuterioethyl)-2-pyridinyl]-2-methyl-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-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-(1,1-dideuterio-2-methylpropyl)-4-methyl-2-phenylpyridine;5-(1,1-dideuterio-2-methylpropyl)-2-phenylpyridine;8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine).

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

The canonical SMILES for 8-[4,5-bis(1,1-dideuterioethyl)-2-pyridinyl]-2-methyl-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-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-(1,1-dideuterio-2-methylpropyl)-4-methyl-2-phenylpyridine;5-(1,1-dideuterio-2-methylpropyl)-2-phenylpyridine;8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine) is [2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1.[2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2ncccc23)c1.[2H]C([2H])(C)c1cnc(-c2[c-]ccc3c2oc2nc(C)ccc23)cc1C([2H])([2H])C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])(c1ccc(-c2[c-]cccc2)nc1)C(C)C.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2ncccc23)c1)C(C)C.[2H]C([2H])(c1cnc(-c2[c-]cccc2)cc1C)C(C)C.[Ir].[Ir].[Ir].[Ir].

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

The InChIKey is NZTBOFQMGDOOTL-AQFOCWLVSA-N. The full InChI is InChI=1S/C21H19N2O.2C20H17N2O.C19H15N2O.C16H18N.C15H16N.2C13H12N.4Ir/c1-4-14-11-19(22-12-15(14)5-2)18-8-6-7-16-17-10-9-13(3)23-21(17)24-20(16)18;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;1-13(2)11-14-8-10-21-18(12-14)17-6-3-5-15-16-7-4-9-22-20(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;1-12(2)9-15-11-17-16(10-13(15)3)14-7-5-4-6-8-14;1-12(2)10-13-8-9-15(16-11-13)14-6-4-3-5-7-14;2*1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;;;;/h6-7,9-12H,4-5H2,1-3H3;4-5,7-12H,1-3H3;3-5,7-10,12-13H,11H2,1-2H3;3-5,7-12H,1-2H3;4-7,10-12H,9H2,1-3H3;3-6,8-9,11-12H,10H2,1-2H3;2*3-6,8-9H,1-2H3;;;;/q8*-1;;;;/i4D2,5D2;12D;11D2;12D;9D2;10D2;2*2D3;;;;.

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

8-[4,5-bis(1,1-dideuterioethyl)-2-pyridinyl]-2-methyl-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-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-(1,1-dideuterio-2-methylpropyl)-4-methyl-2-phenylpyridine;5-(1,1-dideuterio-2-methylpropyl)-2-phenylpyridine;8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine) has a molecular weight of 2791.57 g/mol, XLogP of 34.68, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4,5-bis(1,1-dideuterioethyl)-2-pyridinyl]-2-methyl-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-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-(1,1-dideuterio-2-methylpropyl)-4-methyl-2-phenylpyridine;5-(1,1-dideuterio-2-methylpropyl)-2-phenylpyridine;8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine) is sourced from PubChem (CID 162224926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).