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

C120H92Ir4N12O4-8 — CID 159013793

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

8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);2-phenylpyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine) (PubChem CID 159013793) has the molecular formula C120H92Ir4N12O4-8 and a molecular weight of 2558.14 g/mol. Its IUPAC name is 8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);2-phenylpyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine).

Molecular Properties

• Compound Name: 8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);2-phenylpyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine)
• PubChem CID: 159013793
• Molecular Formula: C120H92Ir4N12O4-8
• Molecular Weight: 2558.14 g/mol
• Exact Mass: 2559.74
• IUPAC Name: 8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);2-phenylpyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine)
• SMILES: Cc1ccc2c(n1)oc1c(-c3ccccn3)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3ccccn3)[c-]ccc12.[2H]C([2H])([2H])C([2H])(c1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1)C([2H])([2H])[2H].[2H]C([2H])([2H])C([2H])(c1ccnc(-c2[c-]ccc3c2oc2ncccc23)c1)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.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C20H17N2O.C19H15N2O.2C17H11N2O.3C12H10N.C11H8N.4Ir/c1-12(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;2*1-11-8-9-13-12-5-4-6-14(15-7-2-3-10-18-15)16(12)20-17(13)19-11;3*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;;;;/h4-5,7-12H,1-3H3;3-5,7-12H,1-2H3;2*2-5,7-10H,1H3;3*2-5,7-9H,1H3;1-6,8-9H;;;;/q8*-1;;;;/i2*1D3,2D3,12D;;;3*1D3
• InChIKey: HSJJCYZVXGAYAN-SFEBNGIMSA-N
• XLogP: 29.66
• TPSA: 207.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2558.14
LogP ≤ 5	29.66
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-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);2-phenylpyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine)?

The IUPAC name of 8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);2-phenylpyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine) (CID 159013793) is 8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);2-phenylpyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine).

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

The canonical SMILES for 8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);2-phenylpyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine) is Cc1ccc2c(n1)oc1c(-c3ccccn3)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3ccccn3)[c-]ccc12.[2H]C([2H])([2H])C([2H])(c1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1)C([2H])([2H])[2H].[2H]C([2H])([2H])C([2H])(c1ccnc(-c2[c-]ccc3c2oc2ncccc23)c1)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.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.

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

The InChIKey is HSJJCYZVXGAYAN-SFEBNGIMSA-N. The full InChI is InChI=1S/C20H17N2O.C19H15N2O.2C17H11N2O.3C12H10N.C11H8N.4Ir/c1-12(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;2*1-11-8-9-13-12-5-4-6-14(15-7-2-3-10-18-15)16(12)20-17(13)19-11;3*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;;;;/h4-5,7-12H,1-3H3;3-5,7-12H,1-2H3;2*2-5,7-10H,1H3;3*2-5,7-9H,1H3;1-6,8-9H;;;;/q8*-1;;;;/i2*1D3,2D3,12D;;;3*1D3;;;;;.

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

8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);2-phenylpyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine) has a molecular weight of 2558.14 g/mol, XLogP of 29.66, 17 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);2-phenylpyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine) is sourced from PubChem (CID 159013793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).