[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzofuran-7-id-1-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine

C39H40IrN2OSi-2 — CID 155608635

About [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzofuran-7-id-1-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine

[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzofuran-7-id-1-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine (PubChem CID 155608635) has the molecular formula C39H40IrN2OSi-2 and a molecular weight of 773.07 g/mol. Its IUPAC name is [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzofuran-7-id-1-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine.

Molecular Properties

• Compound Name: [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzofuran-7-id-1-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine
• PubChem CID: 155608635
• Molecular Formula: C39H40IrN2OSi-2
• Molecular Weight: 773.07 g/mol
• Exact Mass: 773.26
• IUPAC Name: [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzofuran-7-id-1-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine
• SMILES: CC(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1cccc2oc3c(-c4cc(C5CCCC5)ccn4)[c-]ccc3c12.[Ir]
• InChI: InChI=1S/C25H26NOSi.C14H14N.Ir/c1-28(2,3)23-13-7-12-22-24(23)20-11-6-10-19(25(20)27-22)21-16-18(14-15-26-21)17-8-4-5-9-17;1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;/h6-7,11-17H,4-5,8-9H2,1-3H3;3-6,8-11H,1-2H3;/q2*-1
• InChIKey: YVFQIOYDUVPOMT-UHFFFAOYSA-N
• XLogP: 10.32
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.07
LogP ≤ 5	10.32
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 [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzofuran-7-id-1-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine?

The IUPAC name of [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzofuran-7-id-1-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine (CID 155608635) is [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzofuran-7-id-1-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine.

What is the SMILES notation for [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzofuran-7-id-1-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine?

The canonical SMILES for [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzofuran-7-id-1-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine is CC(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1cccc2oc3c(-c4cc(C5CCCC5)ccn4)[c-]ccc3c12.[Ir].

What is the InChIKey of [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzofuran-7-id-1-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine?

The InChIKey is YVFQIOYDUVPOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26NOSi.C14H14N.Ir/c1-28(2,3)23-13-7-12-22-24(23)20-11-6-10-19(25(20)27-22)21-16-18(14-15-26-21)17-8-4-5-9-17;1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;/h6-7,11-17H,4-5,8-9H2,1-3H3;3-6,8-11H,1-2H3;/q2*-1;.

What are the key properties of [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzofuran-7-id-1-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine?

[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzofuran-7-id-1-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine has a molecular weight of 773.07 g/mol, XLogP of 10.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzofuran-7-id-1-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine is sourced from PubChem (CID 155608635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).