2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)-6-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-6-methylpyridine;bis(2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]pyridine);pentakis(iridium);bis(2-methyl-6-phenylpyridine);tris(2-phenylpyridine)

C199H136Ir5N10S5-10 — CID 158323266

About 2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)-6-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-6-methylpyridine;bis(2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]pyridine);pentakis(iridium);bis(2-methyl-6-phenylpyridine);tris(2-phenylpyridine)

2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)-6-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-6-methylpyridine;bis(2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]pyridine);pentakis(iridium);bis(2-methyl-6-phenylpyridine);tris(2-phenylpyridine) (PubChem CID 158323266) has the molecular formula C199H136Ir5N10S5-10 and a molecular weight of 3788.77 g/mol. Its IUPAC name is 2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)-6-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-6-methylpyridine;bis(2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]pyridine);pentakis(iridium);bis(2-methyl-6-phenylpyridine);tris(2-phenylpyridine).

Molecular Properties

• Compound Name: 2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)-6-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-6-methylpyridine;bis(2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]pyridine);pentakis(iridium);bis(2-methyl-6-phenylpyridine);tris(2-phenylpyridine)
• PubChem CID: 158323266
• Molecular Formula: C199H136Ir5N10S5-10
• Molecular Weight: 3788.77 g/mol
• Exact Mass: 3789.78
• IUPAC Name: 2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)-6-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-6-methylpyridine;bis(2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]pyridine);pentakis(iridium);bis(2-methyl-6-phenylpyridine);tris(2-phenylpyridine)
• SMILES: Cc1ccc(-c2[c-]ccc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)c2)nc1.Cc1cccc(-c2[c-]ccc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)c2)n1.Cc1cccc(-c2[c-]ccc(-c3cccc4c3sc3ccccc34)c2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1-c1ccccn1.[c-]1ccc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/2C30H20NS.2C29H18NS.C24H16NS.2C12H10N.3C11H8N.5Ir/c1-20-7-4-13-28(31-20)24-9-5-8-23(19-24)21-15-17-22(18-16-21)25-11-6-12-27-26-10-2-3-14-29(26)32-30(25)27;1-20-12-17-28(31-19-20)24-7-4-6-23(18-24)21-13-15-22(16-14-21)25-9-5-10-27-26-8-2-3-11-29(26)32-30(25)27;2*1-2-13-28-25(9-1)26-11-6-10-24(29(26)31-28)21-16-14-20(15-17-21)22-7-5-8-23(19-22)27-12-3-4-18-30-27;1-16-7-4-13-22(25-16)18-9-5-8-17(15-18)19-11-6-12-21-20-10-2-3-14-23(20)26-24(19)21;2*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2-8,10-19H,1H3;2-6,8-19H,1H3;2*1-7,9-19H;2-8,10-15H,1H3;2*2-7,9H,1H3;3*1-6,8-9H;;;;;/q10*-1
• InChIKey: DPBOMWCUTUDENY-UHFFFAOYSA-N
• XLogP: 53.86
• TPSA: 128.90 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 19
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3788.77
LogP ≤ 5	53.86
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-dibenzothiophen-4-ylbenzene-6-id-1-yl)-6-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-6-methylpyridine;bis(2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]pyridine);pentakis(iridium);bis(2-methyl-6-phenylpyridine);tris(2-phenylpyridine)?

The IUPAC name of 2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)-6-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-6-methylpyridine;bis(2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]pyridine);pentakis(iridium);bis(2-methyl-6-phenylpyridine);tris(2-phenylpyridine) (CID 158323266) is 2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)-6-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-6-methylpyridine;bis(2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]pyridine);pentakis(iridium);bis(2-methyl-6-phenylpyridine);tris(2-phenylpyridine).

What is the SMILES notation for 2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)-6-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-6-methylpyridine;bis(2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]pyridine);pentakis(iridium);bis(2-methyl-6-phenylpyridine);tris(2-phenylpyridine)?

The canonical SMILES for 2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)-6-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-6-methylpyridine;bis(2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]pyridine);pentakis(iridium);bis(2-methyl-6-phenylpyridine);tris(2-phenylpyridine) is Cc1ccc(-c2[c-]ccc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)c2)nc1.Cc1cccc(-c2[c-]ccc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)c2)n1.Cc1cccc(-c2[c-]ccc(-c3cccc4c3sc3ccccc34)c2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1-c1ccccn1.[c-]1ccc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)-6-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-6-methylpyridine;bis(2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]pyridine);pentakis(iridium);bis(2-methyl-6-phenylpyridine);tris(2-phenylpyridine)?

The InChIKey is DPBOMWCUTUDENY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H20NS.2C29H18NS.C24H16NS.2C12H10N.3C11H8N.5Ir/c1-20-7-4-13-28(31-20)24-9-5-8-23(19-24)21-15-17-22(18-16-21)25-11-6-12-27-26-10-2-3-14-29(26)32-30(25)27;1-20-12-17-28(31-19-20)24-7-4-6-23(18-24)21-13-15-22(16-14-21)25-9-5-10-27-26-8-2-3-11-29(26)32-30(25)27;2*1-2-13-28-25(9-1)26-11-6-10-24(29(26)31-28)21-16-14-20(15-17-21)22-7-5-8-23(19-22)27-12-3-4-18-30-27;1-16-7-4-13-22(25-16)18-9-5-8-17(15-18)19-11-6-12-21-20-10-2-3-14-23(20)26-24(19)21;2*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2-8,10-19H,1H3;2-6,8-19H,1H3;2*1-7,9-19H;2-8,10-15H,1H3;2*2-7,9H,1H3;3*1-6,8-9H;;;;;/q10*-1;;;;;.

What are the key properties of 2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)-6-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-6-methylpyridine;bis(2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]pyridine);pentakis(iridium);bis(2-methyl-6-phenylpyridine);tris(2-phenylpyridine)?

2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)-6-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-6-methylpyridine;bis(2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]pyridine);pentakis(iridium);bis(2-methyl-6-phenylpyridine);tris(2-phenylpyridine) has a molecular weight of 3788.77 g/mol, XLogP of 53.86, 19 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)-6-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]-6-methylpyridine;bis(2-[3-(4-dibenzothiophen-4-ylphenyl)benzene-6-id-1-yl]pyridine);pentakis(iridium);bis(2-methyl-6-phenylpyridine);tris(2-phenylpyridine) is sourced from PubChem (CID 158323266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).