2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;pentakis(iridium);2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tris(2-phenylpyridine);2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine

C138H102Ir5N9O2S2-9 — CID 157285159

About 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;pentakis(iridium);2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tris(2-phenylpyridine);2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine

2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;pentakis(iridium);2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tris(2-phenylpyridine);2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine (PubChem CID 157285159) has the molecular formula C138H102Ir5N9O2S2-9 and a molecular weight of 2943.61 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;pentakis(iridium);2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tris(2-phenylpyridine);2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;pentakis(iridium);2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tris(2-phenylpyridine);2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine
• PubChem CID: 157285159
• Molecular Formula: C138H102Ir5N9O2S2-9
• Molecular Weight: 2943.61 g/mol
• Exact Mass: 2945.58
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;pentakis(iridium);2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tris(2-phenylpyridine);2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine
• SMILES: CC(C)Cc1cccc2c1sc1c(-c3ccccn3)[c-]ccc12.CC(C)c1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.Cc1ccc(-c2[c-]cccc2)nc1.Cc1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(sc3ccccc32)c1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C23H14NS.C21H18NS.C20H16NO.C17H10NO.2C12H10N.3C11H8N.5Ir/c1-2-7-16(8-3-1)17-13-14-24-21(15-17)20-11-6-10-19-18-9-4-5-12-22(18)25-23(19)20;1-14(2)13-15-7-5-8-16-17-9-6-10-18(21(17)23-20(15)16)19-11-3-4-12-22-19;1-13(2)14-7-5-8-15-16-9-6-10-17(20(16)22-19(14)15)18-11-3-4-12-21-18;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h1-10,12-15H;3-9,11-12,14H,13H2,1-2H3;3-9,11-13H,1-2H3;1-7,9-11H;2-7,9H,1H3;2-5,7-9H,1H3;3*1-6,8-9H;;;;;/q9*-1
• InChIKey: HRICCLPRRKJCRU-UHFFFAOYSA-N
• XLogP: 36.07
• TPSA: 142.29 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2943.61
LogP ≤ 5	36.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;pentakis(iridium);2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tris(2-phenylpyridine);2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;pentakis(iridium);2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tris(2-phenylpyridine);2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine (CID 157285159) is 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;pentakis(iridium);2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tris(2-phenylpyridine);2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine.

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;pentakis(iridium);2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tris(2-phenylpyridine);2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;pentakis(iridium);2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tris(2-phenylpyridine);2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine is CC(C)Cc1cccc2c1sc1c(-c3ccccn3)[c-]ccc12.CC(C)c1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.Cc1ccc(-c2[c-]cccc2)nc1.Cc1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(sc3ccccc32)c1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;pentakis(iridium);2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tris(2-phenylpyridine);2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine?

The InChIKey is HRICCLPRRKJCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14NS.C21H18NS.C20H16NO.C17H10NO.2C12H10N.3C11H8N.5Ir/c1-2-7-16(8-3-1)17-13-14-24-21(15-17)20-11-6-10-19-18-9-4-5-12-22(18)25-23(19)20;1-14(2)13-15-7-5-8-16-17-9-6-10-18(21(17)23-20(15)16)19-11-3-4-12-22-19;1-13(2)14-7-5-8-15-16-9-6-10-17(20(16)22-19(14)15)18-11-3-4-12-21-18;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h1-10,12-15H;3-9,11-12,14H,13H2,1-2H3;3-9,11-13H,1-2H3;1-7,9-11H;2-7,9H,1H3;2-5,7-9H,1H3;3*1-6,8-9H;;;;;/q9*-1;;;;;.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;pentakis(iridium);2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tris(2-phenylpyridine);2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine?

2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;pentakis(iridium);2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tris(2-phenylpyridine);2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine has a molecular weight of 2943.61 g/mol, XLogP of 36.07, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;pentakis(iridium);2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;tris(2-phenylpyridine);2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine is sourced from PubChem (CID 157285159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).