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

C38H42IrN2OSi2-2 — CID 166018685

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

iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-6-yl)silane (PubChem CID 166018685) has the molecular formula C38H42IrN2OSi2-2 and a molecular weight of 791.16 g/mol. Its IUPAC name is iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-6-yl)silane.

Molecular Properties

• Compound Name: iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-6-yl)silane
• PubChem CID: 166018685
• Molecular Formula: C38H42IrN2OSi2-2
• Molecular Weight: 791.16 g/mol
• Exact Mass: 791.25
• IUPAC Name: iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-6-yl)silane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.C[Si](C)(C)c1cccc2c1oc1cc(-c3[c-]cccc3)ncc12.[Ir]
• InChI: InChI=1S/C20H18NOSi.C18H24NSi.Ir/c1-23(2,3)19-11-7-10-15-16-13-21-17(12-18(16)22-20(15)19)14-8-5-4-6-9-14;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h4-8,10-13H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: YYNTXCBBTMLDIZ-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 iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-6-yl)silane?

The IUPAC name of iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-6-yl)silane (CID 166018685) is iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-6-yl)silane.

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

The canonical SMILES for iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-6-yl)silane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.C[Si](C)(C)c1cccc2c1oc1cc(-c3[c-]cccc3)ncc12.[Ir].

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

The InChIKey is YYNTXCBBTMLDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18NOSi.C18H24NSi.Ir/c1-23(2,3)19-11-7-10-15-16-13-21-17(12-18(16)22-20(15)19)14-8-5-4-6-9-14;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h4-8,10-13H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

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

iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-6-yl)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 iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-6-yl)silane is sourced from PubChem (CID 166018685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).