4-(2-bicyclo[2.2.2]octanylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane

C49H50IrN2OSi-2 — CID 166574555

About 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane

4-(2-bicyclo[2.2.2]octanylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane (PubChem CID 166574555) has the molecular formula C49H50IrN2OSi-2 and a molecular weight of 903.26 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane.

Molecular Properties

• Compound Name: 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
• PubChem CID: 166574555
• Molecular Formula: C49H50IrN2OSi-2
• Molecular Weight: 903.26 g/mol
• Exact Mass: 903.33
• IUPAC Name: 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
• SMILES: CC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].[c-]1ccc2c(oc3ccc(-c4ccccc4)cc32)c1-c1cc(CC2CC3CCC2CC3)ccn1
• InChI: InChI=1S/C32H28NO.C17H22NSi.Ir/c1-2-5-23(6-3-1)25-13-14-31-29(20-25)27-7-4-8-28(32(27)34-31)30-19-22(15-16-33-30)18-26-17-21-9-11-24(26)12-10-21;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h1-7,13-16,19-21,24,26H,9-12,17-18H2;6-9,11-13H,1-5H3;/q2*-1
• InChIKey: OUWOZUHGRLYQPZ-UHFFFAOYSA-N
• XLogP: 12.70
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.26
LogP ≤ 5	12.70
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 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?

The IUPAC name of 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane (CID 166574555) is 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane.

What is the SMILES notation for 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?

The canonical SMILES for 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane is CC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].[c-]1ccc2c(oc3ccc(-c4ccccc4)cc32)c1-c1cc(CC2CC3CCC2CC3)ccn1.

What is the InChIKey of 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?

The InChIKey is OUWOZUHGRLYQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28NO.C17H22NSi.Ir/c1-2-5-23(6-3-1)25-13-14-31-29(20-25)27-7-4-8-28(32(27)34-31)30-19-22(15-16-33-30)18-26-17-21-9-11-24(26)12-10-21;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h1-7,13-16,19-21,24,26H,9-12,17-18H2;6-9,11-13H,1-5H3;/q2*-1;.

What are the key properties of 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?

4-(2-bicyclo[2.2.2]octanylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane has a molecular weight of 903.26 g/mol, XLogP of 12.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane is sourced from PubChem (CID 166574555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).