iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;trimethyl-(6-phenyl-3-pyridinyl)silane

C38H43IrN3OSi2-2 — CID 140719874

About iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;trimethyl-(6-phenyl-3-pyridinyl)silane

iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 140719874) has the molecular formula C38H43IrN3OSi2-2 and a molecular weight of 806.17 g/mol. Its IUPAC name is iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

• Compound Name: iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;trimethyl-(6-phenyl-3-pyridinyl)silane
• PubChem CID: 140719874
• Molecular Formula: C38H43IrN3OSi2-2
• Molecular Weight: 806.17 g/mol
• Exact Mass: 806.26
• IUPAC Name: iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;trimethyl-(6-phenyl-3-pyridinyl)silane
• SMILES: C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1ccc2c(n1)oc1c[c-]c(-c3cc(CC(C)C)c([Si](C)(C)C)cn3)cc12.[Ir]
• InChI: InChI=1S/C24H27N2OSi.C14H16NSi.Ir/c1-15(2)11-18-13-21(25-14-23(18)28(4,5)6)17-8-10-22-20(12-17)19-9-7-16(3)26-24(19)27-22;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h7,9-10,12-15H,11H2,1-6H3;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: ACUZHDRSWFEVJV-UHFFFAOYSA-N
• XLogP: 8.99
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	806.17
LogP ≤ 5	8.99
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 iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;trimethyl-(6-phenyl-3-pyridinyl)silane?

The IUPAC name of iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 140719874) is iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;trimethyl-(6-phenyl-3-pyridinyl)silane.

What is the SMILES notation for iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;trimethyl-(6-phenyl-3-pyridinyl)silane?

The canonical SMILES for iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;trimethyl-(6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1ccc2c(n1)oc1c[c-]c(-c3cc(CC(C)C)c([Si](C)(C)C)cn3)cc12.[Ir].

What is the InChIKey of iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;trimethyl-(6-phenyl-3-pyridinyl)silane?

The InChIKey is ACUZHDRSWFEVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N2OSi.C14H16NSi.Ir/c1-15(2)11-18-13-21(25-14-23(18)28(4,5)6)17-8-10-22-20(12-17)19-9-7-16(3)26-24(19)27-22;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h7,9-10,12-15H,11H2,1-6H3;4-7,9-11H,1-3H3;/q2*-1;.

What are the key properties of iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;trimethyl-(6-phenyl-3-pyridinyl)silane?

iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 806.17 g/mol, XLogP of 8.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 140719874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).