5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane

C37H36IrN2SSi-2 — CID 155608774

About 5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane

5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane (PubChem CID 155608774) has the molecular formula C37H36IrN2SSi-2 and a molecular weight of 761.08 g/mol. Its IUPAC name is 5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane.

Molecular Properties

• Compound Name: 5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane
• PubChem CID: 155608774
• Molecular Formula: C37H36IrN2SSi-2
• Molecular Weight: 761.08 g/mol
• Exact Mass: 761.20
• IUPAC Name: 5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane
• SMILES: C[Si](C)(C)c1c[c-]c(-c2ccccn2)c2sc3ccccc3c12.[Ir].[c-]1ccccc1-c1ccc(C2CCCCC2)cn1
• InChI: InChI=1S/C20H18NSSi.C17H18N.Ir/c1-23(2,3)18-12-11-14(16-9-6-7-13-21-16)20-19(18)15-8-4-5-10-17(15)22-20;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;/h4-10,12-13H,1-3H3;2,5-6,9,11-14H,1,3-4,7-8H2;/q2*-1
• InChIKey: ASSRTBBCFVXWQF-UHFFFAOYSA-N
• XLogP: 10.06
• TPSA: 25.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.08
LogP ≤ 5	10.06
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-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane?

The IUPAC name of 5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane (CID 155608774) is 5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane.

What is the SMILES notation for 5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane?

The canonical SMILES for 5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane is C[Si](C)(C)c1c[c-]c(-c2ccccn2)c2sc3ccccc3c12.[Ir].[c-]1ccccc1-c1ccc(C2CCCCC2)cn1.

What is the InChIKey of 5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane?

The InChIKey is ASSRTBBCFVXWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18NSSi.C17H18N.Ir/c1-23(2,3)18-12-11-14(16-9-6-7-13-21-16)20-19(18)15-8-4-5-10-17(15)22-20;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;/h4-10,12-13H,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-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane?

5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane has a molecular weight of 761.08 g/mol, XLogP of 10.06, 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-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane is sourced from PubChem (CID 155608774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).