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

C140H96Ir4N8OS3-8 — CID 157311340

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

2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;2-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyridine;2-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyridine;2-(4-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine) (PubChem CID 157311340) has the molecular formula C140H96Ir4N8OS3-8 and a molecular weight of 2771.43 g/mol. Its IUPAC name is 2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;2-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyridine;2-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyridine;2-(4-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine).

Molecular Properties

• Compound Name: 2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;2-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyridine;2-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyridine;2-(4-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine)
• PubChem CID: 157311340
• Molecular Formula: C140H96Ir4N8OS3-8
• Molecular Weight: 2771.43 g/mol
• Exact Mass: 2772.54
• IUPAC Name: 2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;2-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyridine;2-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyridine;2-(4-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine)
• SMILES: Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccc3c(c2)sc2ccccc23)ccc1-c1ccccn1.[c-]1cc(-c2cccc3c2sc2ccccc23)ccc1-c1ccccn1.[c-]1ccc(-c2ccc3c(c2)oc2ccccc23)cc1-c1ccccn1.[c-]1ccc(-c2ccc3c(c2)sc2ccccc23)cc1-c1ccccn1
• InChI: InChI=1S/C23H14NO.3C23H14NS.4C12H10N.4Ir/c2*1-2-10-22-19(8-1)20-12-11-17(15-23(20)25-22)16-6-5-7-18(14-16)21-9-3-4-13-24-21;1-2-10-22-19(6-1)20-8-5-7-18(23(20)25-22)16-11-13-17(14-12-16)21-9-3-4-15-24-21;1-2-7-22-19(5-1)20-13-12-18(15-23(20)25-22)16-8-10-17(11-9-16)21-6-3-4-14-24-21;4*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;;;/h2*1-6,8-15H;1-13,15H;1-10,12-15H;4*2-7,9H,1H3;;;;/q8*-1
• InChIKey: PDTXCVAJUKBBGV-UHFFFAOYSA-N
• XLogP: 37.29
• TPSA: 116.26 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2771.43
LogP ≤ 5	37.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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-3-ylbenzene-6-id-1-yl)pyridine;2-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyridine;2-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyridine;2-(4-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine)?

The IUPAC name of 2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;2-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyridine;2-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyridine;2-(4-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine) (CID 157311340) is 2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;2-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyridine;2-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyridine;2-(4-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine).

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

The canonical SMILES for 2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;2-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyridine;2-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyridine;2-(4-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine) is Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccc3c(c2)sc2ccccc23)ccc1-c1ccccn1.[c-]1cc(-c2cccc3c2sc2ccccc23)ccc1-c1ccccn1.[c-]1ccc(-c2ccc3c(c2)oc2ccccc23)cc1-c1ccccn1.[c-]1ccc(-c2ccc3c(c2)sc2ccccc23)cc1-c1ccccn1.

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

The InChIKey is PDTXCVAJUKBBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14NO.3C23H14NS.4C12H10N.4Ir/c2*1-2-10-22-19(8-1)20-12-11-17(15-23(20)25-22)16-6-5-7-18(14-16)21-9-3-4-13-24-21;1-2-10-22-19(6-1)20-8-5-7-18(23(20)25-22)16-11-13-17(14-12-16)21-9-3-4-15-24-21;1-2-7-22-19(5-1)20-13-12-18(15-23(20)25-22)16-8-10-17(11-9-16)21-6-3-4-14-24-21;4*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;;;/h2*1-6,8-15H;1-13,15H;1-10,12-15H;4*2-7,9H,1H3;;;;/q8*-1;;;;.

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

2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;2-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyridine;2-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyridine;2-(4-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine) has a molecular weight of 2771.43 g/mol, XLogP of 37.29, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;2-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyridine;2-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)pyridine;2-(4-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine) is sourced from PubChem (CID 157311340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).