2-(3H-dibenzofuran-3-id-4-yl)-1,5,7-trimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane

C36H34IrN4OSi-2 — CID 167355072

About 2-(3H-dibenzofuran-3-id-4-yl)-1,5,7-trimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane

2-(3H-dibenzofuran-3-id-4-yl)-1,5,7-trimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (PubChem CID 167355072) has the molecular formula C36H34IrN4OSi-2 and a molecular weight of 762.02 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-1,5,7-trimethylimidazo[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)-1,5,7-trimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
• PubChem CID: 167355072
• Molecular Formula: C36H34IrN4OSi-2
• Molecular Weight: 762.02 g/mol
• Exact Mass: 762.23
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-1,5,7-trimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
• SMILES: Cc1cc(C)c2c(n1)nc(-c1[c-]ccc3c1oc1ccccc13)n2C.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1.[Ir]
• InChI: InChI=1S/C21H16N3O.C15H18NSi.Ir/c1-12-11-13(2)22-20-18(12)24(3)21(23-20)16-9-6-8-15-14-7-4-5-10-17(14)25-19(15)16;1-12-5-7-13(8-6-12)15-10-9-14(11-16-15)17(2,3)4;/h4-8,10-11H,1-3H3;5-7,9-11H,1-4H3;/q2*-1;/i;1D3
• InChIKey: MWDZFYZANASSPU-ICMJTWPQSA-N
• XLogP: 8.35
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.02
LogP ≤ 5	8.35
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)-1,5,7-trimethylimidazo[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)-1,5,7-trimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (CID 167355072) is 2-(3H-dibenzofuran-3-id-4-yl)-1,5,7-trimethylimidazo[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)-1,5,7-trimethylimidazo[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)-1,5,7-trimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is Cc1cc(C)c2c(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)-1,5,7-trimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The InChIKey is MWDZFYZANASSPU-ICMJTWPQSA-N. The full InChI is InChI=1S/C21H16N3O.C15H18NSi.Ir/c1-12-11-13(2)22-20-18(12)24(3)21(23-20)16-9-6-8-15-14-7-4-5-10-17(14)25-19(15)16;1-12-5-7-13(8-6-12)15-10-9-14(11-16-15)17(2,3)4;/h4-8,10-11H,1-3H3;5-7,9-11H,1-4H3;/q2*-1;/i;1D3;.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-1,5,7-trimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

2-(3H-dibenzofuran-3-id-4-yl)-1,5,7-trimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane has a molecular weight of 762.02 g/mol, XLogP of 8.35, 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)-1,5,7-trimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is sourced from PubChem (CID 167355072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).