2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(2H-dibenzofuran-2-id-3-yl)pyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-5-phenyl-2-phenylpyridine)

C141H98Ir4N8O4-8 — CID 157210460

About 2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(2H-dibenzofuran-2-id-3-yl)pyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-5-phenyl-2-phenylpyridine)

2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(2H-dibenzofuran-2-id-3-yl)pyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-5-phenyl-2-phenylpyridine) (PubChem CID 157210460) has the molecular formula C141H98Ir4N8O4-8 and a molecular weight of 2737.25 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(2H-dibenzofuran-2-id-3-yl)pyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-5-phenyl-2-phenylpyridine).

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(2H-dibenzofuran-2-id-3-yl)pyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-5-phenyl-2-phenylpyridine)
• PubChem CID: 157210460
• Molecular Formula: C141H98Ir4N8O4-8
• Molecular Weight: 2737.25 g/mol
• Exact Mass: 2738.63
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(2H-dibenzofuran-2-id-3-yl)pyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-5-phenyl-2-phenylpyridine)
• SMILES: Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[Ir].[Ir].[Ir].[Ir].[c-]1cc2c(cc1-c1ccccn1)oc1ccccc12.[c-]1cc2oc3ccccc3c2cc1-c1ccccn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1
• InChI: InChI=1S/C18H12NO.4C18H14N.3C17H10NO.4Ir/c1-12-9-10-19-16(11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;4*1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-2-7-16-13(5-1)14-11-12(8-9-17(14)19-16)15-6-3-4-10-18-15;1-2-7-16-13(5-1)14-9-8-12(11-17(14)19-16)15-6-3-4-10-18-15;;;;/h2-6,8-11H,1H3;4*2-10,12-13H,1H3;3*1-7,9-11H;;;;/q8*-1
• InChIKey: PQFPAPNGCWGNJJ-UHFFFAOYSA-N
• XLogP: 36.19
• TPSA: 155.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2737.25
LogP ≤ 5	36.19
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-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(2H-dibenzofuran-2-id-3-yl)pyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-5-phenyl-2-phenylpyridine)?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(2H-dibenzofuran-2-id-3-yl)pyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-5-phenyl-2-phenylpyridine) (CID 157210460) is 2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(2H-dibenzofuran-2-id-3-yl)pyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-5-phenyl-2-phenylpyridine).

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(2H-dibenzofuran-2-id-3-yl)pyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-5-phenyl-2-phenylpyridine)?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(2H-dibenzofuran-2-id-3-yl)pyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-5-phenyl-2-phenylpyridine) is Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[Ir].[Ir].[Ir].[Ir].[c-]1cc2c(cc1-c1ccccn1)oc1ccccc12.[c-]1cc2oc3ccccc3c2cc1-c1ccccn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(2H-dibenzofuran-2-id-3-yl)pyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-5-phenyl-2-phenylpyridine)?

The InChIKey is PQFPAPNGCWGNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12NO.4C18H14N.3C17H10NO.4Ir/c1-12-9-10-19-16(11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;4*1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-2-7-16-13(5-1)14-11-12(8-9-17(14)19-16)15-6-3-4-10-18-15;1-2-7-16-13(5-1)14-9-8-12(11-17(14)19-16)15-6-3-4-10-18-15;;;;/h2-6,8-11H,1H3;4*2-10,12-13H,1H3;3*1-7,9-11H;;;;/q8*-1;;;;.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(2H-dibenzofuran-2-id-3-yl)pyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-5-phenyl-2-phenylpyridine)?

2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(2H-dibenzofuran-2-id-3-yl)pyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-5-phenyl-2-phenylpyridine) has a molecular weight of 2737.25 g/mol, XLogP of 36.19, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(2H-dibenzofuran-2-id-3-yl)pyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);tetrakis(4-methyl-5-phenyl-2-phenylpyridine) is sourced from PubChem (CID 157210460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).