[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

C38H42IrN2OSi2-2 — CID 162498233

About [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 162498233) has the molecular formula C38H42IrN2OSi2-2 and a molecular weight of 791.16 g/mol. Its IUPAC name is [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

• Compound Name: [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
• PubChem CID: 162498233
• Molecular Formula: C38H42IrN2OSi2-2
• Molecular Weight: 791.16 g/mol
• Exact Mass: 791.25
• IUPAC Name: [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
• SMILES: CC(C)Cc1cc(-c2[c-]ccc3c2oc2ccccc23)ncc1[Si](C)(C)C.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir]
• InChI: InChI=1S/C24H26NOSi.C14H16NSi.Ir/c1-16(2)13-17-14-21(25-15-23(17)27(3,4)5)20-11-8-10-19-18-9-6-7-12-22(18)26-24(19)20;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h6-10,12,14-16H,13H2,1-5H3;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: JHHSQRBBCZGTBI-UHFFFAOYSA-N
• XLogP: 9.28
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.16
LogP ≤ 5	9.28
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-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The IUPAC name of [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 162498233) is [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

What is the SMILES notation for [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The canonical SMILES for [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is CC(C)Cc1cc(-c2[c-]ccc3c2oc2ccccc23)ncc1[Si](C)(C)C.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].

What is the InChIKey of [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The InChIKey is JHHSQRBBCZGTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26NOSi.C14H16NSi.Ir/c1-16(2)13-17-14-21(25-15-23(17)27(3,4)5)20-11-8-10-19-18-9-6-7-12-22(18)26-24(19)20;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h6-10,12,14-16H,13H2,1-5H3;4-7,9-11H,1-3H3;/q2*-1;.

What are the key properties of [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 791.16 g/mol, XLogP of 9.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 162498233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).