4-cyclohexyl-2-(6-dibenzofuran-3-yl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

C49H42IrN2O2Si-2 — CID 166574578

About 4-cyclohexyl-2-(6-dibenzofuran-3-yl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

4-cyclohexyl-2-(6-dibenzofuran-3-yl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 166574578) has the molecular formula C49H42IrN2O2Si-2 and a molecular weight of 911.19 g/mol. Its IUPAC name is 4-cyclohexyl-2-(6-dibenzofuran-3-yl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

• Compound Name: 4-cyclohexyl-2-(6-dibenzofuran-3-yl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
• PubChem CID: 166574578
• Molecular Formula: C49H42IrN2O2Si-2
• Molecular Weight: 911.19 g/mol
• Exact Mass: 911.27
• IUPAC Name: 4-cyclohexyl-2-(6-dibenzofuran-3-yl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
• SMILES: C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].[c-]1c(-c2cc(C3CCCCC3)ccn2)ccc2c1oc1c(-c3ccc4c(c3)oc3ccccc34)cccc12
• InChI: InChI=1S/C35H26NO2.C14H16NSi.Ir/c1-2-7-22(8-3-1)23-17-18-36-31(19-23)25-14-16-29-30-11-6-10-26(35(30)38-34(29)21-25)24-13-15-28-27-9-4-5-12-32(27)37-33(28)20-24;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h4-6,9-20,22H,1-3,7-8H2;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: FCXJQKYDQMDSAN-UHFFFAOYSA-N
• XLogP: 13.15
• TPSA: 52.06 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.19
LogP ≤ 5	13.15
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 4-cyclohexyl-2-(6-dibenzofuran-3-yl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The IUPAC name of 4-cyclohexyl-2-(6-dibenzofuran-3-yl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 166574578) is 4-cyclohexyl-2-(6-dibenzofuran-3-yl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

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

The canonical SMILES for 4-cyclohexyl-2-(6-dibenzofuran-3-yl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].[c-]1c(-c2cc(C3CCCCC3)ccn2)ccc2c1oc1c(-c3ccc4c(c3)oc3ccccc34)cccc12.

What is the InChIKey of 4-cyclohexyl-2-(6-dibenzofuran-3-yl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The InChIKey is FCXJQKYDQMDSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26NO2.C14H16NSi.Ir/c1-2-7-22(8-3-1)23-17-18-36-31(19-23)25-14-16-29-30-11-6-10-26(35(30)38-34(29)21-25)24-13-15-28-27-9-4-5-12-32(27)37-33(28)20-24;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h4-6,9-20,22H,1-3,7-8H2;4-7,9-11H,1-3H3;/q2*-1;.

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

4-cyclohexyl-2-(6-dibenzofuran-3-yl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 911.19 g/mol, XLogP of 13.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclohexyl-2-(6-dibenzofuran-3-yl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 166574578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).