2-(3H-dibenzofuran-3-id-2-yl)pyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(5-methyl-2-phenylpyridine);bis(2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine);2-phenylpyridine

C124H98Ir4N8O3-8 — CID 157100281

About 2-(3H-dibenzofuran-3-id-2-yl)pyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(5-methyl-2-phenylpyridine);bis(2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine);2-phenylpyridine

2-(3H-dibenzofuran-3-id-2-yl)pyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(5-methyl-2-phenylpyridine);bis(2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine);2-phenylpyridine (PubChem CID 157100281) has the molecular formula C124H98Ir4N8O3-8 and a molecular weight of 2517.07 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-2-yl)pyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(5-methyl-2-phenylpyridine);bis(2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine);2-phenylpyridine.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-2-yl)pyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(5-methyl-2-phenylpyridine);bis(2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine);2-phenylpyridine
• PubChem CID: 157100281
• Molecular Formula: C124H98Ir4N8O3-8
• Molecular Weight: 2517.07 g/mol
• Exact Mass: 2518.63
• IUPAC Name: 2-(3H-dibenzofuran-3-id-2-yl)pyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(5-methyl-2-phenylpyridine);bis(2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine);2-phenylpyridine
• SMILES: CC(C)Cc1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.CC(C)Cc1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[c-]1cc2oc3ccccc3c2cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/2C21H18NO.C18H14N.C17H10NO.3C12H10N.C11H8N.4Ir/c2*1-14(2)13-15-7-5-8-16-17-9-6-10-18(21(17)23-20(15)16)19-11-3-4-12-22-19;1-14-10-11-18(19-13-14)17-9-5-8-16(12-17)15-6-3-2-4-7-15;1-2-7-16-13(5-1)14-11-12(8-9-17(14)19-16)15-6-3-4-10-18-15;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;;;;/h2*3-9,11-12,14H,13H2,1-2H3;2-8,10-13H,1H3;1-7,9-11H;3*2-5,7-9H,1H3;1-6,8-9H;;;;/q8*-1
• InChIKey: IQDVBIGEISHMBY-UHFFFAOYSA-N
• XLogP: 31.38
• TPSA: 142.54 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2517.07
LogP ≤ 5	31.38
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 2-(3H-dibenzofuran-3-id-2-yl)pyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(5-methyl-2-phenylpyridine);bis(2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine);2-phenylpyridine?

The IUPAC name of 2-(3H-dibenzofuran-3-id-2-yl)pyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(5-methyl-2-phenylpyridine);bis(2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine);2-phenylpyridine (CID 157100281) is 2-(3H-dibenzofuran-3-id-2-yl)pyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(5-methyl-2-phenylpyridine);bis(2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine);2-phenylpyridine.

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-2-yl)pyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(5-methyl-2-phenylpyridine);bis(2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine);2-phenylpyridine?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-2-yl)pyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(5-methyl-2-phenylpyridine);bis(2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine);2-phenylpyridine is CC(C)Cc1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.CC(C)Cc1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[c-]1cc2oc3ccccc3c2cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2-(3H-dibenzofuran-3-id-2-yl)pyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(5-methyl-2-phenylpyridine);bis(2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine);2-phenylpyridine?

The InChIKey is IQDVBIGEISHMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H18NO.C18H14N.C17H10NO.3C12H10N.C11H8N.4Ir/c2*1-14(2)13-15-7-5-8-16-17-9-6-10-18(21(17)23-20(15)16)19-11-3-4-12-22-19;1-14-10-11-18(19-13-14)17-9-5-8-16(12-17)15-6-3-2-4-7-15;1-2-7-16-13(5-1)14-11-12(8-9-17(14)19-16)15-6-3-4-10-18-15;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;;;;/h2*3-9,11-12,14H,13H2,1-2H3;2-8,10-13H,1H3;1-7,9-11H;3*2-5,7-9H,1H3;1-6,8-9H;;;;/q8*-1;;;;.

What are the key properties of 2-(3H-dibenzofuran-3-id-2-yl)pyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(5-methyl-2-phenylpyridine);bis(2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine);2-phenylpyridine?

2-(3H-dibenzofuran-3-id-2-yl)pyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(5-methyl-2-phenylpyridine);bis(2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine);2-phenylpyridine has a molecular weight of 2517.07 g/mol, XLogP of 31.38, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-2-yl)pyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(5-methyl-2-phenylpyridine);bis(2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine);2-phenylpyridine is sourced from PubChem (CID 157100281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).