[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2,3,5-trideuterio-4-(2-deuteriopropan-2-yl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine

C41H40IrN2OSi-2 — CID 176623972

About [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2,3,5-trideuterio-4-(2-deuteriopropan-2-yl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2,3,5-trideuterio-4-(2-deuteriopropan-2-yl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine (PubChem CID 176623972) has the molecular formula C41H40IrN2OSi-2 and a molecular weight of 802.12 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2,3,5-trideuterio-4-(2-deuteriopropan-2-yl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine.

Molecular Properties

• Compound Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2,3,5-trideuterio-4-(2-deuteriopropan-2-yl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine
• PubChem CID: 176623972
• Molecular Formula: C41H40IrN2OSi-2
• Molecular Weight: 802.12 g/mol
• Exact Mass: 802.29
• IUPAC Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2,3,5-trideuterio-4-(2-deuteriopropan-2-yl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine
• SMILES: [2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]c1nc(-c2[c-]ccc3c2oc2cc4ccccc4cc23)c([2H])c(C([2H])(C)C)c1[2H].[Ir]
• InChI: InChI=1S/C24H18NO.C17H22NSi.Ir/c1-15(2)16-10-11-25-22(13-16)20-9-5-8-19-21-12-17-6-3-4-7-18(17)14-23(21)26-24(19)20;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h3-8,10-15H,1-2H3;6-9,11-13H,1-5H3;/q2*-1;/i10D,11D,13D,15D;13D
• InChIKey: LCZADBUJFGRJQR-WLYSNTAWSA-N
• XLogP: 10.94
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	802.12
LogP ≤ 5	10.94
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 [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2,3,5-trideuterio-4-(2-deuteriopropan-2-yl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine?

The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2,3,5-trideuterio-4-(2-deuteriopropan-2-yl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine (CID 176623972) is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2,3,5-trideuterio-4-(2-deuteriopropan-2-yl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine.

What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2,3,5-trideuterio-4-(2-deuteriopropan-2-yl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine?

The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2,3,5-trideuterio-4-(2-deuteriopropan-2-yl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine is [2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]c1nc(-c2[c-]ccc3c2oc2cc4ccccc4cc23)c([2H])c(C([2H])(C)C)c1[2H].[Ir].

What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2,3,5-trideuterio-4-(2-deuteriopropan-2-yl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine?

The InChIKey is LCZADBUJFGRJQR-WLYSNTAWSA-N. The full InChI is InChI=1S/C24H18NO.C17H22NSi.Ir/c1-15(2)16-10-11-25-22(13-16)20-9-5-8-19-21-12-17-6-3-4-7-18(17)14-23(21)26-24(19)20;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h3-8,10-15H,1-2H3;6-9,11-13H,1-5H3;/q2*-1;/i10D,11D,13D,15D;13D;.

What are the key properties of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2,3,5-trideuterio-4-(2-deuteriopropan-2-yl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine?

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2,3,5-trideuterio-4-(2-deuteriopropan-2-yl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine has a molecular weight of 802.12 g/mol, XLogP of 10.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2,3,5-trideuterio-4-(2-deuteriopropan-2-yl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine is sourced from PubChem (CID 176623972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).