bis(2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine);bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);tetrakis(1-methyl-2-phenylbenzimidazole)

C128H92Ir4N12O4-8 — CID 161388661

About bis(2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine);bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);tetrakis(1-methyl-2-phenylbenzimidazole)

bis(2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine);bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);tetrakis(1-methyl-2-phenylbenzimidazole) (PubChem CID 161388661) has the molecular formula C128H92Ir4N12O4-8 and a molecular weight of 2631.09 g/mol. Its IUPAC name is bis(2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine);bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);tetrakis(1-methyl-2-phenylbenzimidazole).

Molecular Properties

• Compound Name: bis(2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine);bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);tetrakis(1-methyl-2-phenylbenzimidazole)
• PubChem CID: 161388661
• Molecular Formula: C128H92Ir4N12O4-8
• Molecular Weight: 2631.09 g/mol
• Exact Mass: 2632.59
• IUPAC Name: bis(2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine);bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);tetrakis(1-methyl-2-phenylbenzimidazole)
• SMILES: Cc1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1C.Cc1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1C.Cn1c(-c2[c-]cccc2)nc2ccccc21.Cn1c(-c2[c-]cccc2)nc2ccccc21.Cn1c(-c2[c-]cccc2)nc2ccccc21.Cn1c(-c2[c-]cccc2)nc2ccccc21.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1
• InChI: InChI=1S/2C19H14NO.2C17H10NO.4C14H11N2.4Ir/c2*1-12-10-17(20-11-13(12)2)16-8-5-7-15-14-6-3-4-9-18(14)21-19(15)16;2*1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;4*1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11;;;;/h2*3-7,9-11H,1-2H3;2*1-7,9-11H;4*2-7,9-10H,1H3;;;;/q8*-1
• InChIKey: QBLDHTSNRBCVGC-UHFFFAOYSA-N
• XLogP: 31.18
• TPSA: 175.40 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2631.09
LogP ≤ 5	31.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine);bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);tetrakis(1-methyl-2-phenylbenzimidazole)?

The IUPAC name of bis(2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine);bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);tetrakis(1-methyl-2-phenylbenzimidazole) (CID 161388661) is bis(2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine);bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);tetrakis(1-methyl-2-phenylbenzimidazole).

What is the SMILES notation for bis(2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine);bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);tetrakis(1-methyl-2-phenylbenzimidazole)?

The canonical SMILES for bis(2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine);bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);tetrakis(1-methyl-2-phenylbenzimidazole) is Cc1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1C.Cc1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1C.Cn1c(-c2[c-]cccc2)nc2ccccc21.Cn1c(-c2[c-]cccc2)nc2ccccc21.Cn1c(-c2[c-]cccc2)nc2ccccc21.Cn1c(-c2[c-]cccc2)nc2ccccc21.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.

What is the InChIKey of bis(2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine);bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);tetrakis(1-methyl-2-phenylbenzimidazole)?

The InChIKey is QBLDHTSNRBCVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H14NO.2C17H10NO.4C14H11N2.4Ir/c2*1-12-10-17(20-11-13(12)2)16-8-5-7-15-14-6-3-4-9-18(14)21-19(15)16;2*1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;4*1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11;;;;/h2*3-7,9-11H,1-2H3;2*1-7,9-11H;4*2-7,9-10H,1H3;;;;/q8*-1;;;;.

What are the key properties of bis(2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine);bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);tetrakis(1-methyl-2-phenylbenzimidazole)?

bis(2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine);bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);tetrakis(1-methyl-2-phenylbenzimidazole) has a molecular weight of 2631.09 g/mol, XLogP of 31.18, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine);bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);tetrakis(1-methyl-2-phenylbenzimidazole) is sourced from PubChem (CID 161388661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).