5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane

C37H36IrN2OSi-2 — CID 155608565

About 5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane

5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane (PubChem CID 155608565) has the molecular formula C37H36IrN2OSi-2 and a molecular weight of 745.01 g/mol. Its IUPAC name is 5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane.

Molecular Properties

• Compound Name: 5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane
• PubChem CID: 155608565
• Molecular Formula: C37H36IrN2OSi-2
• Molecular Weight: 745.01 g/mol
• Exact Mass: 745.22
• IUPAC Name: 5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane
• SMILES: C[Si](C)(C)c1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.[Ir].[c-]1ccccc1-c1ccc(C2CCCCC2)cn1
• InChI: InChI=1S/C20H18NOSi.C17H18N.Ir/c1-23(2,3)18-12-7-9-15-14-8-6-10-16(19(14)22-20(15)18)17-11-4-5-13-21-17;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;/h4-9,11-13H,1-3H3;2,5-6,9,11-14H,1,3-4,7-8H2;/q2*-1
• InChIKey: MSFYFKOYDPNHPG-UHFFFAOYSA-N
• XLogP: 9.59
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	745.01
LogP ≤ 5	9.59
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 5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane?

The IUPAC name of 5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane (CID 155608565) is 5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane.

What is the SMILES notation for 5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane?

The canonical SMILES for 5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane is C[Si](C)(C)c1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.[Ir].[c-]1ccccc1-c1ccc(C2CCCCC2)cn1.

What is the InChIKey of 5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane?

The InChIKey is MSFYFKOYDPNHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18NOSi.C17H18N.Ir/c1-23(2,3)18-12-7-9-15-14-8-6-10-16(19(14)22-20(15)18)17-11-4-5-13-21-17;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;/h4-9,11-13H,1-3H3;2,5-6,9,11-14H,1,3-4,7-8H2;/q2*-1;.

What are the key properties of 5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane?

5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane has a molecular weight of 745.01 g/mol, XLogP of 9.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane is sourced from PubChem (CID 155608565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).