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

C38H39IrN3OSi-2 — CID 155612518

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

[4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide (PubChem CID 155612518) has the molecular formula C38H39IrN3OSi-2 and a molecular weight of 782.10 g/mol. Its IUPAC name is [4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

Molecular Properties

• Compound Name: [4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• PubChem CID: 155612518
• Molecular Formula: C38H39IrN3OSi-2
• Molecular Weight: 782.10 g/mol
• Exact Mass: 782.30
• IUPAC Name: [4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• SMILES: [2H]C([2H])([2H])c1ccnc(-c2[c-]ccc3c2oc2nc(C([2H])([2H])[2H])ccc23)c1.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCC1.[Ir]
• InChI: InChI=1S/C20H26NSi.C18H13N2O.Ir/c1-22(2,3)20-15-21-19(17-11-5-4-6-12-17)14-18(20)13-16-9-7-8-10-16;1-11-8-9-19-16(10-11)15-5-3-4-13-14-7-6-12(2)20-18(14)21-17(13)15;/h4-6,11,14-16H,7-10,13H2,1-3H3;3-4,6-10H,1-2H3;/q2*-1;/i13D2;1D3,2D3
• InChIKey: QVHLCTGAGKHOAL-KJUNUGTLSA-N
• XLogP: 9.28
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.10
LogP ≤ 5	9.28
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;iridium;2-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The IUPAC name of [4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide (CID 155612518) is [4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

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

The canonical SMILES for [4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide is [2H]C([2H])([2H])c1ccnc(-c2[c-]ccc3c2oc2nc(C([2H])([2H])[2H])ccc23)c1.[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;iridium;2-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The InChIKey is QVHLCTGAGKHOAL-KJUNUGTLSA-N. The full InChI is InChI=1S/C20H26NSi.C18H13N2O.Ir/c1-22(2,3)20-15-21-19(17-11-5-4-6-12-17)14-18(20)13-16-9-7-8-10-16;1-11-8-9-19-16(10-11)15-5-3-4-13-14-7-6-12(2)20-18(14)21-17(13)15;/h4-6,11,14-16H,7-10,13H2,1-3H3;3-4,6-10H,1-2H3;/q2*-1;/i13D2;1D3,2D3;.

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

[4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide has a molecular weight of 782.10 g/mol, XLogP of 9.28, 7 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;iridium;2-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide is sourced from PubChem (CID 155612518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).