[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide

C43H41IrN5SSi-2 — CID 156670525

About [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide

[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide (PubChem CID 156670525) has the molecular formula C43H41IrN5SSi-2 and a molecular weight of 885.24 g/mol. Its IUPAC name is [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide.

Molecular Properties

• Compound Name: [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide
• PubChem CID: 156670525
• Molecular Formula: C43H41IrN5SSi-2
• Molecular Weight: 885.24 g/mol
• Exact Mass: 885.28
• IUPAC Name: [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide
• SMILES: [2H]C([2H])([2H])c1c[c-]c(-c2nc3ccncc3n2-c2ccccc2)c2sc3ncccc3c12.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)(C)C.[Ir]
• InChI: InChI=1S/C24H15N4S.C19H26NSi.Ir/c1-15-9-10-18(22-21(15)17-8-5-12-26-24(17)29-22)23-27-19-11-13-25-14-20(19)28(23)16-6-3-2-4-7-16;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;/h2-9,11-14H,1H3;7-10,12,14H,13H2,1-6H3;/q2*-1;/i1D3;13D2
• InChIKey: LLDVTYIALFHVSZ-HCKZMSHJSA-N
• XLogP: 10.64
• TPSA: 56.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	885.24
LogP ≤ 5	10.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide?

The IUPAC name of [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide (CID 156670525) is [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide.

What is the SMILES notation for [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide?

The canonical SMILES for [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide is [2H]C([2H])([2H])c1c[c-]c(-c2nc3ccncc3n2-c2ccccc2)c2sc3ncccc3c12.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)(C)C.[Ir].

What is the InChIKey of [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide?

The InChIKey is LLDVTYIALFHVSZ-HCKZMSHJSA-N. The full InChI is InChI=1S/C24H15N4S.C19H26NSi.Ir/c1-15-9-10-18(22-21(15)17-8-5-12-26-24(17)29-22)23-27-19-11-13-25-14-20(19)28(23)16-6-3-2-4-7-16;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;/h2-9,11-14H,1H3;7-10,12,14H,13H2,1-6H3;/q2*-1;/i1D3;13D2;.

What are the key properties of [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide?

[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide has a molecular weight of 885.24 g/mol, XLogP of 10.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-5-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide is sourced from PubChem (CID 156670525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).