iridium;4-phenyl-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane

C44H36IrN2OSi-2 — CID 166578426

About iridium;4-phenyl-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane

iridium;4-phenyl-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 166578426) has the molecular formula C44H36IrN2OSi-2 and a molecular weight of 832.11 g/mol. Its IUPAC name is iridium;4-phenyl-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

• Compound Name: iridium;4-phenyl-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
• PubChem CID: 166578426
• Molecular Formula: C44H36IrN2OSi-2
• Molecular Weight: 832.11 g/mol
• Exact Mass: 832.24
• IUPAC Name: iridium;4-phenyl-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
• SMILES: C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cc3oc4ccc(-c5ccccc5)cc4c3c2)cc1-c1ccccc1.[Ir]
• InChI: InChI=1S/C30H20NO.C14H16NSi.Ir/c1-20-19-31-28(18-25(20)22-10-6-3-7-11-22)24-13-15-30-27(17-24)26-16-23(12-14-29(26)32-30)21-8-4-2-5-9-21;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h2-12,14-19H,1H3;4-7,9-11H,1-3H3;/q2*-1;/i1D3
• InChIKey: IDBCNQIKBPQMNH-GXXYEPOPSA-N
• XLogP: 11.18
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	832.11
LogP ≤ 5	11.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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;4-phenyl-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?

The IUPAC name of iridium;4-phenyl-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 166578426) is iridium;4-phenyl-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane.

What is the SMILES notation for iridium;4-phenyl-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?

The canonical SMILES for iridium;4-phenyl-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cc3oc4ccc(-c5ccccc5)cc4c3c2)cc1-c1ccccc1.[Ir].

What is the InChIKey of iridium;4-phenyl-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?

The InChIKey is IDBCNQIKBPQMNH-GXXYEPOPSA-N. The full InChI is InChI=1S/C30H20NO.C14H16NSi.Ir/c1-20-19-31-28(18-25(20)22-10-6-3-7-11-22)24-13-15-30-27(17-24)26-16-23(12-14-29(26)32-30)21-8-4-2-5-9-21;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h2-12,14-19H,1H3;4-7,9-11H,1-3H3;/q2*-1;/i1D3;;.

What are the key properties of iridium;4-phenyl-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?

iridium;4-phenyl-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 832.11 g/mol, XLogP of 11.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;4-phenyl-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 166578426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).