4-ethyl-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-6-id-1-yl)-4-(trideuteriomethyl)pyridine

C122H103Ir4N11-8 — CID 158653288

About 4-ethyl-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-6-id-1-yl)-4-(trideuteriomethyl)pyridine

4-ethyl-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-6-id-1-yl)-4-(trideuteriomethyl)pyridine (PubChem CID 158653288) has the molecular formula C122H103Ir4N11-8 and a molecular weight of 2512.23 g/mol. Its IUPAC name is 4-ethyl-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-6-id-1-yl)-4-(trideuteriomethyl)pyridine.

Molecular Properties

• Compound Name: 4-ethyl-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-6-id-1-yl)-4-(trideuteriomethyl)pyridine
• PubChem CID: 158653288
• Molecular Formula: C122H103Ir4N11-8
• Molecular Weight: 2512.23 g/mol
• Exact Mass: 2513.82
• IUPAC Name: 4-ethyl-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-6-id-1-yl)-4-(trideuteriomethyl)pyridine
• SMILES: CCc1ccnc(-c2[c-]ccc(-c3ccccn3)c2)c1.[2H]C([2H])([2H])C([2H])([2H])c1ccnc(-c2[c-]ccc(-c3ccccn3)c2)c1.[2H]C([2H])([2H])c1ccnc(-c2[c-]ccc(-c3ccccn3)c2)c1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1ccccn1
• InChI: InChI=1S/2C18H15N2.C17H13N2.C17H12N.4C13H12N.4Ir/c2*1-2-14-9-11-20-18(12-14)16-7-5-6-15(13-16)17-8-3-4-10-19-17;1-13-8-10-19-17(11-13)15-6-4-5-14(12-15)16-7-2-3-9-18-16;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;4*1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;;;;/h2*3-6,8-13H,2H2,1H3;2-5,7-12H,1H3;1-11,13H;4*3-6,8-9H,1-2H3;;;;/q8*-1;;;;/i1D3,2D2;;1D3;;4*2D3
• InChIKey: OJWPLYIMLADZBF-WYNQDJLZSA-N
• XLogP: 29.13
• TPSA: 141.79 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2512.23
LogP ≤ 5	29.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-6-id-1-yl)-4-(trideuteriomethyl)pyridine?

The IUPAC name of 4-ethyl-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-6-id-1-yl)-4-(trideuteriomethyl)pyridine (CID 158653288) is 4-ethyl-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-6-id-1-yl)-4-(trideuteriomethyl)pyridine.

What is the SMILES notation for 4-ethyl-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-6-id-1-yl)-4-(trideuteriomethyl)pyridine?

The canonical SMILES for 4-ethyl-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-6-id-1-yl)-4-(trideuteriomethyl)pyridine is CCc1ccnc(-c2[c-]ccc(-c3ccccn3)c2)c1.[2H]C([2H])([2H])C([2H])([2H])c1ccnc(-c2[c-]ccc(-c3ccccn3)c2)c1.[2H]C([2H])([2H])c1ccnc(-c2[c-]ccc(-c3ccccn3)c2)c1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1ccccn1.

What is the InChIKey of 4-ethyl-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-6-id-1-yl)-4-(trideuteriomethyl)pyridine?

The InChIKey is OJWPLYIMLADZBF-WYNQDJLZSA-N. The full InChI is InChI=1S/2C18H15N2.C17H13N2.C17H12N.4C13H12N.4Ir/c2*1-2-14-9-11-20-18(12-14)16-7-5-6-15(13-16)17-8-3-4-10-19-17;1-13-8-10-19-17(11-13)15-6-4-5-14(12-15)16-7-2-3-9-18-16;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;4*1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;;;;/h2*3-6,8-13H,2H2,1H3;2-5,7-12H,1H3;1-11,13H;4*3-6,8-9H,1-2H3;;;;/q8*-1;;;;/i1D3,2D2;;1D3;;4*2D3;;;;.

What are the key properties of 4-ethyl-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-6-id-1-yl)-4-(trideuteriomethyl)pyridine?

4-ethyl-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-6-id-1-yl)-4-(trideuteriomethyl)pyridine has a molecular weight of 2512.23 g/mol, XLogP of 29.13, 20 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-6-id-1-yl)-4-(trideuteriomethyl)pyridine is sourced from PubChem (CID 158653288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).