2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-phenylpyridine;tris(2-phenylpyridine)

C140H96Ir5N9O4S-9 — CID 157066201

About 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-phenylpyridine;tris(2-phenylpyridine)

2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-phenylpyridine;tris(2-phenylpyridine) (PubChem CID 157066201) has the molecular formula C140H96Ir5N9O4S-9 and a molecular weight of 2961.52 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-phenylpyridine;tris(2-phenylpyridine).

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-phenylpyridine;tris(2-phenylpyridine)
• PubChem CID: 157066201
• Molecular Formula: C140H96Ir5N9O4S-9
• Molecular Weight: 2961.52 g/mol
• Exact Mass: 2963.55
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-phenylpyridine;tris(2-phenylpyridine)
• SMILES: Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2ccnc(-c3[c-]ccc4c3oc3ccccc34)c2)cc1.Cc1ccnc(-c2[c-]cc3sc4ccccc4c3c2)c1.Cc1ccnc(-c2[c-]ccc3c2oc2c(C)cccc23)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C24H16NO.C19H14NO.C18H12NS.2C17H10NO.C12H10N.3C11H8N.5Ir/c1-16-9-11-17(12-10-16)18-13-14-25-22(15-18)21-7-4-6-20-19-5-2-3-8-23(19)26-24(20)21;1-12-9-10-20-17(11-12)16-8-4-7-15-14-6-3-5-13(2)18(14)21-19(15)16;1-12-8-9-19-16(10-12)13-6-7-18-15(11-13)14-4-2-3-5-17(14)20-18;2*1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-10-7-8-12(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;;;;;/h2-6,8-15H,1H3;3-7,9-11H,1-2H3;2-5,7-11H,1H3;2*1-7,9-11H;2-5,7-9H,1H3;3*1-6,8-9H;;;;;/q9*-1
• InChIKey: LOYLIWONALGMIN-UHFFFAOYSA-N
• XLogP: 36.10
• TPSA: 168.57 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2961.52
LogP ≤ 5	36.10
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 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-phenylpyridine;tris(2-phenylpyridine)?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-phenylpyridine;tris(2-phenylpyridine) (CID 157066201) is 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-phenylpyridine;tris(2-phenylpyridine).

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-phenylpyridine;tris(2-phenylpyridine)?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-phenylpyridine;tris(2-phenylpyridine) is Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2ccnc(-c3[c-]ccc4c3oc3ccccc34)c2)cc1.Cc1ccnc(-c2[c-]cc3sc4ccccc4c3c2)c1.Cc1ccnc(-c2[c-]ccc3c2oc2c(C)cccc23)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-phenylpyridine;tris(2-phenylpyridine)?

The InChIKey is LOYLIWONALGMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16NO.C19H14NO.C18H12NS.2C17H10NO.C12H10N.3C11H8N.5Ir/c1-16-9-11-17(12-10-16)18-13-14-25-22(15-18)21-7-4-6-20-19-5-2-3-8-23(19)26-24(20)21;1-12-9-10-20-17(11-12)16-8-4-7-15-14-6-3-5-13(2)18(14)21-19(15)16;1-12-8-9-19-16(10-12)13-6-7-18-15(11-13)14-4-2-3-5-17(14)20-18;2*1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-10-7-8-12(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;;;;;/h2-6,8-15H,1H3;3-7,9-11H,1-2H3;2-5,7-11H,1H3;2*1-7,9-11H;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)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-phenylpyridine;tris(2-phenylpyridine)?

2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-phenylpyridine;tris(2-phenylpyridine) has a molecular weight of 2961.52 g/mol, XLogP of 36.10, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-phenylpyridine;tris(2-phenylpyridine) is sourced from PubChem (CID 157066201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).