iridium;2-phenylpyridine;trimethyl-[6-(7-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]silane

C39H32IrN4OSi-2 — CID 164826121

About iridium;2-phenylpyridine;trimethyl-[6-(7-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]silane

iridium;2-phenylpyridine;trimethyl-[6-(7-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]silane (PubChem CID 164826121) has the molecular formula C39H32IrN4OSi-2 and a molecular weight of 793.02 g/mol. Its IUPAC name is iridium;2-phenylpyridine;trimethyl-[6-(7-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]silane.

Molecular Properties

• Compound Name: iridium;2-phenylpyridine;trimethyl-[6-(7-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]silane
• PubChem CID: 164826121
• Molecular Formula: C39H32IrN4OSi-2
• Molecular Weight: 793.02 g/mol
• Exact Mass: 793.20
• IUPAC Name: iridium;2-phenylpyridine;trimethyl-[6-(7-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]silane
• SMILES: Cc1cncc2c1nc(-c1[c-]ccc3c1oc1cc([Si](C)(C)C)ccc13)n2-c1ccccc1.[Ir].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C28H24N3OSi.C11H8N.Ir/c1-18-16-29-17-24-26(18)30-28(31(24)19-9-6-5-7-10-19)23-12-8-11-22-21-14-13-20(33(2,3)4)15-25(21)32-27(22)23;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h5-11,13-17H,1-4H3;1-6,8-9H;/q2*-1
• InChIKey: JJMZNIRZEMEPIW-UHFFFAOYSA-N
• XLogP: 9.19
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.02
LogP ≤ 5	9.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenylpyridine;trimethyl-[6-(7-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]silane?

The IUPAC name of iridium;2-phenylpyridine;trimethyl-[6-(7-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]silane (CID 164826121) is iridium;2-phenylpyridine;trimethyl-[6-(7-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]silane.

What is the SMILES notation for iridium;2-phenylpyridine;trimethyl-[6-(7-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]silane?

The canonical SMILES for iridium;2-phenylpyridine;trimethyl-[6-(7-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]silane is Cc1cncc2c1nc(-c1[c-]ccc3c1oc1cc([Si](C)(C)C)ccc13)n2-c1ccccc1.[Ir].[c-]1ccccc1-c1ccccn1.

What is the InChIKey of iridium;2-phenylpyridine;trimethyl-[6-(7-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]silane?

The InChIKey is JJMZNIRZEMEPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N3OSi.C11H8N.Ir/c1-18-16-29-17-24-26(18)30-28(31(24)19-9-6-5-7-10-19)23-12-8-11-22-21-14-13-20(33(2,3)4)15-25(21)32-27(22)23;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h5-11,13-17H,1-4H3;1-6,8-9H;/q2*-1;.

What are the key properties of iridium;2-phenylpyridine;trimethyl-[6-(7-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]silane?

iridium;2-phenylpyridine;trimethyl-[6-(7-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]silane has a molecular weight of 793.02 g/mol, XLogP of 9.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-phenylpyridine;trimethyl-[6-(7-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]silane is sourced from PubChem (CID 164826121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).