bis(2-(2H-dibenzothiophen-2-id-3-yl)-5-methylpyridine);2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-5-methylpyridine;bis(4-ethyl-5-phenyl-2-phenylpyridine);bis(iridium);bis(iridium(3+));tetrakis(2-phenylpyridine)

C154H112Ir4N10S4-4 — CID 158585803

About bis(2-(2H-dibenzothiophen-2-id-3-yl)-5-methylpyridine);2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-5-methylpyridine;bis(4-ethyl-5-phenyl-2-phenylpyridine);bis(iridium);bis(iridium(3+));tetrakis(2-phenylpyridine)

bis(2-(2H-dibenzothiophen-2-id-3-yl)-5-methylpyridine);2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-5-methylpyridine;bis(4-ethyl-5-phenyl-2-phenylpyridine);bis(iridium);bis(iridium(3+));tetrakis(2-phenylpyridine) (PubChem CID 158585803) has the molecular formula C154H112Ir4N10S4-4 and a molecular weight of 2999.80 g/mol. Its IUPAC name is bis(2-(2H-dibenzothiophen-2-id-3-yl)-5-methylpyridine);2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-5-methylpyridine;bis(4-ethyl-5-phenyl-2-phenylpyridine);bis(iridium);bis(iridium(3+));tetrakis(2-phenylpyridine).

Molecular Properties

• Compound Name: bis(2-(2H-dibenzothiophen-2-id-3-yl)-5-methylpyridine);2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-5-methylpyridine;bis(4-ethyl-5-phenyl-2-phenylpyridine);bis(iridium);bis(iridium(3+));tetrakis(2-phenylpyridine)
• PubChem CID: 158585803
• Molecular Formula: C154H112Ir4N10S4-4
• Molecular Weight: 2999.80 g/mol
• Exact Mass: 3000.65
• IUPAC Name: bis(2-(2H-dibenzothiophen-2-id-3-yl)-5-methylpyridine);2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-5-methylpyridine;bis(4-ethyl-5-phenyl-2-phenylpyridine);bis(iridium);bis(iridium(3+));tetrakis(2-phenylpyridine)
• SMILES: CCc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.CCc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1ccc(-c2[c-]cc3c(c2)sc2ccccc23)nc1.Cc1ccc(-c2[c-]cc3c(c2)sc2ccccc23)nc1.Cc1ccc(-c2[c-]cc3sc4ccccc4c3c2)nc1.Cc1ccc(-c2[c-]ccc3c2sc2ccccc23)nc1.[Ir+3].[Ir+3].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/2C19H16N.4C18H12NS.4C11H8N.4Ir/c2*1-2-15-13-19(17-11-7-4-8-12-17)20-14-18(15)16-9-5-3-6-10-16;1-12-9-10-16(19-11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;2*1-12-6-9-16(19-11-12)13-7-8-15-14-4-2-3-5-17(14)20-18(15)10-13;1-12-6-8-16(19-11-12)13-7-9-18-15(10-13)14-4-2-3-5-17(14)20-18;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h2*3-11,13-14H,2H2,1H3;4*2-6,8-11H,1H3;4*1-6,8-9H;;;;/q10*-1;;;2*+3
• InChIKey: PKHZKNKDCXXFJL-UHFFFAOYSA-N
• XLogP: 40.64
• TPSA: 128.90 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2999.80
LogP ≤ 5	40.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-(2H-dibenzothiophen-2-id-3-yl)-5-methylpyridine);2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-5-methylpyridine;bis(4-ethyl-5-phenyl-2-phenylpyridine);bis(iridium);bis(iridium(3+));tetrakis(2-phenylpyridine)?

The IUPAC name of bis(2-(2H-dibenzothiophen-2-id-3-yl)-5-methylpyridine);2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-5-methylpyridine;bis(4-ethyl-5-phenyl-2-phenylpyridine);bis(iridium);bis(iridium(3+));tetrakis(2-phenylpyridine) (CID 158585803) is bis(2-(2H-dibenzothiophen-2-id-3-yl)-5-methylpyridine);2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-5-methylpyridine;bis(4-ethyl-5-phenyl-2-phenylpyridine);bis(iridium);bis(iridium(3+));tetrakis(2-phenylpyridine).

What is the SMILES notation for bis(2-(2H-dibenzothiophen-2-id-3-yl)-5-methylpyridine);2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-5-methylpyridine;bis(4-ethyl-5-phenyl-2-phenylpyridine);bis(iridium);bis(iridium(3+));tetrakis(2-phenylpyridine)?

The canonical SMILES for bis(2-(2H-dibenzothiophen-2-id-3-yl)-5-methylpyridine);2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-5-methylpyridine;bis(4-ethyl-5-phenyl-2-phenylpyridine);bis(iridium);bis(iridium(3+));tetrakis(2-phenylpyridine) is CCc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.CCc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1ccc(-c2[c-]cc3c(c2)sc2ccccc23)nc1.Cc1ccc(-c2[c-]cc3c(c2)sc2ccccc23)nc1.Cc1ccc(-c2[c-]cc3sc4ccccc4c3c2)nc1.Cc1ccc(-c2[c-]ccc3c2sc2ccccc23)nc1.[Ir+3].[Ir+3].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of bis(2-(2H-dibenzothiophen-2-id-3-yl)-5-methylpyridine);2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-5-methylpyridine;bis(4-ethyl-5-phenyl-2-phenylpyridine);bis(iridium);bis(iridium(3+));tetrakis(2-phenylpyridine)?

The InChIKey is PKHZKNKDCXXFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H16N.4C18H12NS.4C11H8N.4Ir/c2*1-2-15-13-19(17-11-7-4-8-12-17)20-14-18(15)16-9-5-3-6-10-16;1-12-9-10-16(19-11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;2*1-12-6-9-16(19-11-12)13-7-8-15-14-4-2-3-5-17(14)20-18(15)10-13;1-12-6-8-16(19-11-12)13-7-9-18-15(10-13)14-4-2-3-5-17(14)20-18;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h2*3-11,13-14H,2H2,1H3;4*2-6,8-11H,1H3;4*1-6,8-9H;;;;/q10*-1;;;2*+3.

What are the key properties of bis(2-(2H-dibenzothiophen-2-id-3-yl)-5-methylpyridine);2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-5-methylpyridine;bis(4-ethyl-5-phenyl-2-phenylpyridine);bis(iridium);bis(iridium(3+));tetrakis(2-phenylpyridine)?

bis(2-(2H-dibenzothiophen-2-id-3-yl)-5-methylpyridine);2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-5-methylpyridine;bis(4-ethyl-5-phenyl-2-phenylpyridine);bis(iridium);bis(iridium(3+));tetrakis(2-phenylpyridine) has a molecular weight of 2999.80 g/mol, XLogP of 40.64, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(2H-dibenzothiophen-2-id-3-yl)-5-methylpyridine);2-(3H-dibenzothiophen-3-id-2-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-5-methylpyridine;bis(4-ethyl-5-phenyl-2-phenylpyridine);bis(iridium);bis(iridium(3+));tetrakis(2-phenylpyridine) is sourced from PubChem (CID 158585803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).