2-(3H-dibenzofuran-3-id-4-yl)-1,5-dimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane

C35H32IrN4OSi-2 — CID 156657158

About 2-(3H-dibenzofuran-3-id-4-yl)-1,5-dimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane

2-(3H-dibenzofuran-3-id-4-yl)-1,5-dimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (PubChem CID 156657158) has the molecular formula C35H32IrN4OSi-2 and a molecular weight of 747.99 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-1,5-dimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-1,5-dimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
• PubChem CID: 156657158
• Molecular Formula: C35H32IrN4OSi-2
• Molecular Weight: 747.99 g/mol
• Exact Mass: 748.22
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-1,5-dimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
• SMILES: Cc1ccc2c(n1)nc(-c1[c-]ccc3c1oc1ccccc13)n2C.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1.[Ir]
• InChI: InChI=1S/C20H14N3O.C15H18NSi.Ir/c1-12-10-11-16-19(21-12)22-20(23(16)2)15-8-5-7-14-13-6-3-4-9-17(13)24-18(14)15;1-12-5-7-13(8-6-12)15-10-9-14(11-16-15)17(2,3)4;/h3-7,9-11H,1-2H3;5-7,9-11H,1-4H3;/q2*-1;/i;1D3
• InChIKey: IGAADSHNTHEQEX-ICMJTWPQSA-N
• XLogP: 8.04
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.99
LogP ≤ 5	8.04
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 2-(3H-dibenzofuran-3-id-4-yl)-1,5-dimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1,5-dimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (CID 156657158) is 2-(3H-dibenzofuran-3-id-4-yl)-1,5-dimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-1,5-dimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-1,5-dimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is Cc1ccc2c(n1)nc(-c1[c-]ccc3c1oc1ccccc13)n2C.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1.[Ir].

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-1,5-dimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The InChIKey is IGAADSHNTHEQEX-ICMJTWPQSA-N. The full InChI is InChI=1S/C20H14N3O.C15H18NSi.Ir/c1-12-10-11-16-19(21-12)22-20(23(16)2)15-8-5-7-14-13-6-3-4-9-17(13)24-18(14)15;1-12-5-7-13(8-6-12)15-10-9-14(11-16-15)17(2,3)4;/h3-7,9-11H,1-2H3;5-7,9-11H,1-4H3;/q2*-1;/i;1D3;.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-1,5-dimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

2-(3H-dibenzofuran-3-id-4-yl)-1,5-dimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane has a molecular weight of 747.99 g/mol, XLogP of 8.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)-1,5-dimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is sourced from PubChem (CID 156657158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).