[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-[3-phenyl-4-(trideuteriomethyl)imidazo[4,5-c]pyridin-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide

C45H45IrN5OSi-2 — CID 156670970

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

[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-[3-phenyl-4-(trideuteriomethyl)imidazo[4,5-c]pyridin-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide (PubChem CID 156670970) has the molecular formula C45H45IrN5OSi-2 and a molecular weight of 897.22 g/mol. Its IUPAC name is [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-[3-phenyl-4-(trideuteriomethyl)imidazo[4,5-c]pyridin-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

Molecular Properties

• Compound Name: [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-[3-phenyl-4-(trideuteriomethyl)imidazo[4,5-c]pyridin-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• PubChem CID: 156670970
• Molecular Formula: C45H45IrN5OSi-2
• Molecular Weight: 897.22 g/mol
• Exact Mass: 897.33
• IUPAC Name: [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-[3-phenyl-4-(trideuteriomethyl)imidazo[4,5-c]pyridin-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• SMILES: [2H]C([2H])([2H])c1nccc2nc(-c3[c-]ccc4c3oc3nc(C(C)C)ccc34)n(-c3ccccc3)c12.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)C.[Ir]
• InChI: InChI=1S/C27H21N4O.C18H24NSi.Ir/c1-16(2)22-13-12-20-19-10-7-11-21(25(19)32-27(20)30-22)26-29-23-14-15-28-17(3)24(23)31(26)18-8-5-4-6-9-18;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h4-10,12-16H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;/i3D3;11D2
• InChIKey: SBXCRRYTSFQTCP-MEKARTAKSA-N
• XLogP: 10.90
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	897.22
LogP ≤ 5	10.90
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-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-[3-phenyl-4-(trideuteriomethyl)imidazo[4,5-c]pyridin-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The IUPAC name of [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-[3-phenyl-4-(trideuteriomethyl)imidazo[4,5-c]pyridin-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide (CID 156670970) is [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-[3-phenyl-4-(trideuteriomethyl)imidazo[4,5-c]pyridin-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

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

The canonical SMILES for [4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-[3-phenyl-4-(trideuteriomethyl)imidazo[4,5-c]pyridin-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide is [2H]C([2H])([2H])c1nccc2nc(-c3[c-]ccc4c3oc3nc(C(C)C)ccc34)n(-c3ccccc3)c12.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)C.[Ir].

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

The InChIKey is SBXCRRYTSFQTCP-MEKARTAKSA-N. The full InChI is InChI=1S/C27H21N4O.C18H24NSi.Ir/c1-16(2)22-13-12-20-19-10-7-11-21(25(19)32-27(20)30-22)26-29-23-14-15-28-17(3)24(23)31(26)18-8-5-4-6-9-18;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h4-10,12-16H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;/i3D3;11D2;.

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

[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-[3-phenyl-4-(trideuteriomethyl)imidazo[4,5-c]pyridin-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide has a molecular weight of 897.22 g/mol, XLogP of 10.90, 8 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-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-[3-phenyl-4-(trideuteriomethyl)imidazo[4,5-c]pyridin-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide is sourced from PubChem (CID 156670970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).