[6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

C37H41IrN3OSi2-2 — CID 162498235

About [6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

[6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 162498235) has the molecular formula C37H41IrN3OSi2-2 and a molecular weight of 792.14 g/mol. Its IUPAC name is [6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

• Compound Name: [6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
• PubChem CID: 162498235
• Molecular Formula: C37H41IrN3OSi2-2
• Molecular Weight: 792.14 g/mol
• Exact Mass: 792.24
• IUPAC Name: [6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
• SMILES: CC(C)Cc1cc(-c2[c-]nc3oc4ccccc4c3c2)ncc1[Si](C)(C)C.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir]
• InChI: InChI=1S/C23H25N2OSi.C14H16NSi.Ir/c1-15(2)10-16-12-20(24-14-22(16)27(3,4)5)17-11-19-18-8-6-7-9-21(18)26-23(19)25-13-17;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h6-9,11-12,14-15H,10H2,1-5H3;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: YYKWDZCXTUZPPC-UHFFFAOYSA-N
• XLogP: 8.68
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.14
LogP ≤ 5	8.68
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-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The IUPAC name of [6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 162498235) is [6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

What is the SMILES notation for [6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The canonical SMILES for [6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is CC(C)Cc1cc(-c2[c-]nc3oc4ccccc4c3c2)ncc1[Si](C)(C)C.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].

What is the InChIKey of [6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The InChIKey is YYKWDZCXTUZPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N2OSi.C14H16NSi.Ir/c1-15(2)10-16-12-20(24-14-22(16)27(3,4)5)17-11-19-18-8-6-7-9-21(18)26-23(19)25-13-17;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h6-9,11-12,14-15H,10H2,1-5H3;4-7,9-11H,1-3H3;/q2*-1;.

What are the key properties of [6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

[6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 792.14 g/mol, XLogP of 8.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 162498235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).