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

C174H118Ir5N10OS4-10 — CID 159130652

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

2-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)pyridine;2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)-4-methylpyridine;tris(2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine);pentakis(iridium);bis(2-methyl-6-phenylpyridine);3-methyl-2-phenylpyridine;bis(2-phenylpyridine) (PubChem CID 159130652) has the molecular formula C174H118Ir5N10OS4-10 and a molecular weight of 3454.28 g/mol. Its IUPAC name is 2-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)pyridine;2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)-4-methylpyridine;tris(2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine);pentakis(iridium);bis(2-methyl-6-phenylpyridine);3-methyl-2-phenylpyridine;bis(2-phenylpyridine).

Molecular Properties

• Compound Name: 2-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)pyridine;2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)-4-methylpyridine;tris(2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine);pentakis(iridium);bis(2-methyl-6-phenylpyridine);3-methyl-2-phenylpyridine;bis(2-phenylpyridine)
• PubChem CID: 159130652
• Molecular Formula: C174H118Ir5N10OS4-10
• Molecular Weight: 3454.28 g/mol
• Exact Mass: 3455.66
• IUPAC Name: 2-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)pyridine;2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)-4-methylpyridine;tris(2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine);pentakis(iridium);bis(2-methyl-6-phenylpyridine);3-methyl-2-phenylpyridine;bis(2-phenylpyridine)
• SMILES: Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccnc1-c1[c-]cccc1.Cc1ccnc(-c2[c-]ccc(-c3cccc4c3sc3ccccc34)c2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc3c2oc2ccccc23)cc1-c1ccccn1.[c-]1ccc(-c2cccc3c2sc2ccccc23)cc1-c1ccccn1.[c-]1ccc(-c2cccc3c2sc2ccccc23)cc1-c1ccccn1.[c-]1ccc(-c2cccc3c2sc2ccccc23)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C24H16NS.C23H14NO.3C23H14NS.3C12H10N.2C11H8N.5Ir/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;4*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;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2-6,8-15H,1H3;4*1-7,9-15H;3*2-7,9H,1H3;2*1-6,8-9H;;;;;/q10*-1
• InChIKey: UNPSNHSHFAGGSQ-UHFFFAOYSA-N
• XLogP: 46.42
• TPSA: 142.04 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3454.28
LogP ≤ 5	46.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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

The IUPAC name of 2-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)pyridine;2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)-4-methylpyridine;tris(2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine);pentakis(iridium);bis(2-methyl-6-phenylpyridine);3-methyl-2-phenylpyridine;bis(2-phenylpyridine) (CID 159130652) is 2-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)pyridine;2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)-4-methylpyridine;tris(2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine);pentakis(iridium);bis(2-methyl-6-phenylpyridine);3-methyl-2-phenylpyridine;bis(2-phenylpyridine).

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

The canonical SMILES for 2-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)pyridine;2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)-4-methylpyridine;tris(2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine);pentakis(iridium);bis(2-methyl-6-phenylpyridine);3-methyl-2-phenylpyridine;bis(2-phenylpyridine) is Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccnc1-c1[c-]cccc1.Cc1ccnc(-c2[c-]ccc(-c3cccc4c3sc3ccccc34)c2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc3c2oc2ccccc23)cc1-c1ccccn1.[c-]1ccc(-c2cccc3c2sc2ccccc23)cc1-c1ccccn1.[c-]1ccc(-c2cccc3c2sc2ccccc23)cc1-c1ccccn1.[c-]1ccc(-c2cccc3c2sc2ccccc23)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

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

The InChIKey is UNPSNHSHFAGGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16NS.C23H14NO.3C23H14NS.3C12H10N.2C11H8N.5Ir/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;4*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;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2-6,8-15H,1H3;4*1-7,9-15H;3*2-7,9H,1H3;2*1-6,8-9H;;;;;/q10*-1;;;;;.

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

2-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)pyridine;2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)-4-methylpyridine;tris(2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine);pentakis(iridium);bis(2-methyl-6-phenylpyridine);3-methyl-2-phenylpyridine;bis(2-phenylpyridine) has a molecular weight of 3454.28 g/mol, XLogP of 46.42, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)pyridine;2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)-4-methylpyridine;tris(2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine);pentakis(iridium);bis(2-methyl-6-phenylpyridine);3-methyl-2-phenylpyridine;bis(2-phenylpyridine) is sourced from PubChem (CID 159130652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).