2-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-4-methylpyridine;bis(2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine);tris(iridium);bis(2-methyl-6-phenylpyridine);3-methyl-2-phenylpyridine

C106H74Ir3N6OS2-6 — CID 158903165

About 2-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-4-methylpyridine;bis(2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine);tris(iridium);bis(2-methyl-6-phenylpyridine);3-methyl-2-phenylpyridine

2-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-4-methylpyridine;bis(2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine);tris(iridium);bis(2-methyl-6-phenylpyridine);3-methyl-2-phenylpyridine (PubChem CID 158903165) has the molecular formula C106H74Ir3N6OS2-6 and a molecular weight of 2088.58 g/mol. Its IUPAC name is 2-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-4-methylpyridine;bis(2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine);tris(iridium);bis(2-methyl-6-phenylpyridine);3-methyl-2-phenylpyridine.

Molecular Properties

• Compound Name: 2-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-4-methylpyridine;bis(2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine);tris(iridium);bis(2-methyl-6-phenylpyridine);3-methyl-2-phenylpyridine
• PubChem CID: 158903165
• Molecular Formula: C106H74Ir3N6OS2-6
• Molecular Weight: 2088.58 g/mol
• Exact Mass: 2089.43
• IUPAC Name: 2-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-4-methylpyridine;bis(2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine);tris(iridium);bis(2-methyl-6-phenylpyridine);3-methyl-2-phenylpyridine
• SMILES: Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccnc1-c1[c-]cccc1.Cc1ccnc(-c2[c-]ccc(-c3cccc4c3oc3ccccc34)c2)c1.[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc3c2sc2ccccc23)cc1-c1ccccn1.[c-]1ccc(-c2cccc3c2sc2ccccc23)cc1-c1ccccn1
• InChI: InChI=1S/C24H16NO.2C23H14NS.3C12H10N.3Ir/c1-16-12-13-25-22(14-16)18-7-4-6-17(15-18)19-9-5-10-21-20-8-2-3-11-23(20)26-24(19)21;2*1-2-13-22-19(9-1)20-11-6-10-18(23(20)25-22)16-7-5-8-17(15-16)21-12-3-4-14-24-21;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;2*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;;/h2-6,8-15H,1H3;2*1-7,9-15H;3*2-7,9H,1H3;;;/q6*-1
• InChIKey: FIWZLCKZOZYIPS-UHFFFAOYSA-N
• XLogP: 28.16
• TPSA: 90.48 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2088.58
LogP ≤ 5	28.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-4-methylpyridine;bis(2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine);tris(iridium);bis(2-methyl-6-phenylpyridine);3-methyl-2-phenylpyridine?

The IUPAC name of 2-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-4-methylpyridine;bis(2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine);tris(iridium);bis(2-methyl-6-phenylpyridine);3-methyl-2-phenylpyridine (CID 158903165) is 2-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-4-methylpyridine;bis(2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine);tris(iridium);bis(2-methyl-6-phenylpyridine);3-methyl-2-phenylpyridine.

What is the SMILES notation for 2-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-4-methylpyridine;bis(2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine);tris(iridium);bis(2-methyl-6-phenylpyridine);3-methyl-2-phenylpyridine?

The canonical SMILES for 2-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-4-methylpyridine;bis(2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine);tris(iridium);bis(2-methyl-6-phenylpyridine);3-methyl-2-phenylpyridine is Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccnc1-c1[c-]cccc1.Cc1ccnc(-c2[c-]ccc(-c3cccc4c3oc3ccccc34)c2)c1.[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc3c2sc2ccccc23)cc1-c1ccccn1.[c-]1ccc(-c2cccc3c2sc2ccccc23)cc1-c1ccccn1.

What is the InChIKey of 2-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-4-methylpyridine;bis(2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine);tris(iridium);bis(2-methyl-6-phenylpyridine);3-methyl-2-phenylpyridine?

The InChIKey is FIWZLCKZOZYIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16NO.2C23H14NS.3C12H10N.3Ir/c1-16-12-13-25-22(14-16)18-7-4-6-17(15-18)19-9-5-10-21-20-8-2-3-11-23(20)26-24(19)21;2*1-2-13-22-19(9-1)20-11-6-10-18(23(20)25-22)16-7-5-8-17(15-16)21-12-3-4-14-24-21;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;2*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;;/h2-6,8-15H,1H3;2*1-7,9-15H;3*2-7,9H,1H3;;;/q6*-1;;;.

What are the key properties of 2-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-4-methylpyridine;bis(2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine);tris(iridium);bis(2-methyl-6-phenylpyridine);3-methyl-2-phenylpyridine?

2-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-4-methylpyridine;bis(2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine);tris(iridium);bis(2-methyl-6-phenylpyridine);3-methyl-2-phenylpyridine has a molecular weight of 2088.58 g/mol, XLogP of 28.16, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-4-methylpyridine;bis(2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine);tris(iridium);bis(2-methyl-6-phenylpyridine);3-methyl-2-phenylpyridine is sourced from PubChem (CID 158903165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).