2-(3H-dibenzofuran-3-id-4-yl)-1,4,6-trimethylimidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium

C39H40IrN4OSi-2 — CID 156657722

About 2-(3H-dibenzofuran-3-id-4-yl)-1,4,6-trimethylimidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium

2-(3H-dibenzofuran-3-id-4-yl)-1,4,6-trimethylimidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 156657722) has the molecular formula C39H40IrN4OSi-2 and a molecular weight of 803.09 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-1,4,6-trimethylimidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-1,4,6-trimethylimidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 156657722
• Molecular Formula: C39H40IrN4OSi-2
• Molecular Weight: 803.09 g/mol
• Exact Mass: 803.27
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-1,4,6-trimethylimidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
• SMILES: Cc1cc2c(nc(-c3[c-]ccc4c3oc3ccccc34)n2C)c(C)n1.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)C.[Ir]
• InChI: InChI=1S/C21H16N3O.C18H24NSi.Ir/c1-12-11-17-19(13(2)22-12)23-21(24(17)3)16-9-6-8-15-14-7-4-5-10-18(14)25-20(15)16;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h4-8,10-11H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;/i;11D2
• InChIKey: KSPYRGCXXGLLNX-YXZWVCJGSA-N
• XLogP: 9.24
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	803.09
LogP ≤ 5	9.24
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)-1,4,6-trimethylimidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1,4,6-trimethylimidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium (CID 156657722) is 2-(3H-dibenzofuran-3-id-4-yl)-1,4,6-trimethylimidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-1,4,6-trimethylimidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-1,4,6-trimethylimidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium is Cc1cc2c(nc(-c3[c-]ccc4c3oc3ccccc34)n2C)c(C)n1.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)C.[Ir].

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-1,4,6-trimethylimidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is KSPYRGCXXGLLNX-YXZWVCJGSA-N. The full InChI is InChI=1S/C21H16N3O.C18H24NSi.Ir/c1-12-11-17-19(13(2)22-12)23-21(24(17)3)16-9-6-8-15-14-7-4-5-10-18(14)25-20(15)16;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h4-8,10-11H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;/i;11D2;.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-1,4,6-trimethylimidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

2-(3H-dibenzofuran-3-id-4-yl)-1,4,6-trimethylimidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 803.09 g/mol, XLogP of 9.24, 5 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)-1,4,6-trimethylimidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 156657722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).