[4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

C43H49IrN3OSi-2 — CID 155611208

About [4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

[4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (PubChem CID 155611208) has the molecular formula C43H49IrN3OSi-2 and a molecular weight of 854.25 g/mol. Its IUPAC name is [4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

Molecular Properties

• Compound Name: [4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• PubChem CID: 155611208
• Molecular Formula: C43H49IrN3OSi-2
• Molecular Weight: 854.25 g/mol
• Exact Mass: 854.39
• IUPAC Name: [4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• SMILES: [2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C([2H])([2H])C(C)(C)C)c(C([2H])([2H])[2H])cn3)[c-]ccc12.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCC1.[Ir]
• InChI: InChI=1S/C23H23N2O.C20H26NSi.Ir/c1-14-13-24-20(11-16(14)12-23(3,4)5)19-8-6-7-17-18-10-9-15(2)25-22(18)26-21(17)19;1-22(2,3)20-15-21-19(17-11-5-4-6-12-17)14-18(20)13-16-9-7-8-10-16;/h6-7,9-11,13H,12H2,1-5H3;4-6,11,14-16H,7-10,13H2,1-3H3;/q2*-1;/i1D3,2D3,12D2;13D2
• InChIKey: AAKKHUHKIWGMIS-IIYPZAOHSA-N
• XLogP: 10.87
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.25
LogP ≤ 5	10.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The IUPAC name of [4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (CID 155611208) is [4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

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

The canonical SMILES for [4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is [2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C([2H])([2H])C(C)(C)C)c(C([2H])([2H])[2H])cn3)[c-]ccc12.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCC1.[Ir].

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

The InChIKey is AAKKHUHKIWGMIS-IIYPZAOHSA-N. The full InChI is InChI=1S/C23H23N2O.C20H26NSi.Ir/c1-14-13-24-20(11-16(14)12-23(3,4)5)19-8-6-7-17-18-10-9-15(2)25-22(18)26-21(17)19;1-22(2,3)20-15-21-19(17-11-5-4-6-12-17)14-18(20)13-16-9-7-8-10-16;/h6-7,9-11,13H,12H2,1-5H3;4-6,11,14-16H,7-10,13H2,1-3H3;/q2*-1;/i1D3,2D3,12D2;13D2;.

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

[4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium has a molecular weight of 854.25 g/mol, XLogP of 10.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is sourced from PubChem (CID 155611208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).