[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;2-[7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine

C46H38IrN2O2Si-2 — CID 162710288

About [6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;2-[7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine

[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;2-[7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine (PubChem CID 162710288) has the molecular formula C46H38IrN2O2Si-2 and a molecular weight of 871.12 g/mol. Its IUPAC name is [6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;2-[7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine.

Molecular Properties

• Compound Name: [6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;2-[7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine
• PubChem CID: 162710288
• Molecular Formula: C46H38IrN2O2Si-2
• Molecular Weight: 871.12 g/mol
• Exact Mass: 871.23
• IUPAC Name: [6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;2-[7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine
• SMILES: CC(C)(c1ccccc1)c1ccc2c(c1)oc1c(-c3ccccn3)[c-]ccc12.C[Si](C)(C)c1ccc(-c2[c-]ccc3c2oc2ccccc23)nc1.[Ir]
• InChI: InChI=1S/C26H20NO.C20H18NOSi.Ir/c1-26(2,18-9-4-3-5-10-18)19-14-15-20-21-11-8-12-22(23-13-6-7-16-27-23)25(21)28-24(20)17-19;1-23(2,3)14-11-12-18(21-13-14)17-9-6-8-16-15-7-4-5-10-19(15)22-20(16)17;/h3-11,13-17H,1-2H3;4-8,10-13H,1-3H3;/q2*-1
• InChIKey: IHISGVKPALMPQU-UHFFFAOYSA-N
• XLogP: 11.76
• TPSA: 52.06 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.12
LogP ≤ 5	11.76
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 [6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;2-[7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine?

The IUPAC name of [6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;2-[7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine (CID 162710288) is [6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;2-[7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine.

What is the SMILES notation for [6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;2-[7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine?

The canonical SMILES for [6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;2-[7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine is CC(C)(c1ccccc1)c1ccc2c(c1)oc1c(-c3ccccn3)[c-]ccc12.C[Si](C)(C)c1ccc(-c2[c-]ccc3c2oc2ccccc23)nc1.[Ir].

What is the InChIKey of [6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;2-[7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine?

The InChIKey is IHISGVKPALMPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20NO.C20H18NOSi.Ir/c1-26(2,18-9-4-3-5-10-18)19-14-15-20-21-11-8-12-22(23-13-6-7-16-27-23)25(21)28-24(20)17-19;1-23(2,3)14-11-12-18(21-13-14)17-9-6-8-16-15-7-4-5-10-19(15)22-20(16)17;/h3-11,13-17H,1-2H3;4-8,10-13H,1-3H3;/q2*-1;.

What are the key properties of [6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;2-[7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine?

[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;2-[7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine has a molecular weight of 871.12 g/mol, XLogP of 11.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;2-[7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine is sourced from PubChem (CID 162710288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).