bis(2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine);bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);tetrakis(2-phenyl-1-propan-2-ylimidazole)

C120H100Ir4N12O4-8 — CID 159903502

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

bis(2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine);bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);tetrakis(2-phenyl-1-propan-2-ylimidazole) (PubChem CID 159903502) has the molecular formula C120H100Ir4N12O4-8 and a molecular weight of 2543.07 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(2-phenyl-1-propan-2-ylimidazole).

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(2-phenyl-1-propan-2-ylimidazole)
• PubChem CID: 159903502
• Molecular Formula: C120H100Ir4N12O4-8
• Molecular Weight: 2543.07 g/mol
• Exact Mass: 2544.66
• 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(2-phenyl-1-propan-2-ylimidazole)
• SMILES: CC(C)n1ccnc1-c1[c-]cccc1.CC(C)n1ccnc1-c1[c-]cccc1.CC(C)n1ccnc1-c1[c-]cccc1.CC(C)n1ccnc1-c1[c-]cccc1.Cc1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1C.Cc1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1C.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1
• InChI: InChI=1S/2C19H14NO.2C17H10NO.4C12H13N2.4Ir/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*1-10(2)14-9-8-13-12(14)11-6-4-3-5-7-11;;;;/h2*3-7,9-11H,1-2H3;2*1-7,9-11H;4*3-6,8-10H,1-2H3;;;;/q8*-1
• InChIKey: QHRNYNHXMTWEMW-UHFFFAOYSA-N
• XLogP: 30.74
• TPSA: 175.40 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2543.07
LogP ≤ 5	30.74
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(2-phenyl-1-propan-2-ylimidazole)?

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(2-phenyl-1-propan-2-ylimidazole) (CID 159903502) is bis(2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine);bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);tetrakis(2-phenyl-1-propan-2-ylimidazole).

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(2-phenyl-1-propan-2-ylimidazole)?

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(2-phenyl-1-propan-2-ylimidazole) is CC(C)n1ccnc1-c1[c-]cccc1.CC(C)n1ccnc1-c1[c-]cccc1.CC(C)n1ccnc1-c1[c-]cccc1.CC(C)n1ccnc1-c1[c-]cccc1.Cc1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1C.Cc1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1C.[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(2-phenyl-1-propan-2-ylimidazole)?

The InChIKey is QHRNYNHXMTWEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H14NO.2C17H10NO.4C12H13N2.4Ir/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*1-10(2)14-9-8-13-12(14)11-6-4-3-5-7-11;;;;/h2*3-7,9-11H,1-2H3;2*1-7,9-11H;4*3-6,8-10H,1-2H3;;;;/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(2-phenyl-1-propan-2-ylimidazole)?

bis(2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine);bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);tetrakis(2-phenyl-1-propan-2-ylimidazole) has a molecular weight of 2543.07 g/mol, XLogP of 30.74, 12 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(2-phenyl-1-propan-2-ylimidazole) is sourced from PubChem (CID 159903502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).