iridium;4-methyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane

C39H34IrN2SSi-2 — CID 166573854

About iridium;4-methyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane

iridium;4-methyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane (PubChem CID 166573854) has the molecular formula C39H34IrN2SSi-2 and a molecular weight of 783.09 g/mol. Its IUPAC name is iridium;4-methyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane.

Molecular Properties

• Compound Name: iridium;4-methyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
• PubChem CID: 166573854
• Molecular Formula: C39H34IrN2SSi-2
• Molecular Weight: 783.09 g/mol
• Exact Mass: 783.19
• IUPAC Name: iridium;4-methyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
• SMILES: Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1ccnc(-c2[c-]ccc3c2sc2ccc(-c4ccccc4)cc23)c1.[Ir]
• InChI: InChI=1S/C24H16NS.C15H18NSi.Ir/c1-16-12-13-25-22(14-16)20-9-5-8-19-21-15-18(17-6-3-2-4-7-17)10-11-23(21)26-24(19)20;1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;/h2-8,10-15H,1H3;5-8,10-11H,1-4H3;/q2*-1
• InChIKey: KDRVMAODYJYEEB-UHFFFAOYSA-N
• XLogP: 10.29
• TPSA: 25.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	783.09
LogP ≤ 5	10.29
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;4-methyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane?

The IUPAC name of iridium;4-methyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane (CID 166573854) is iridium;4-methyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane.

What is the SMILES notation for iridium;4-methyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane?

The canonical SMILES for iridium;4-methyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane is Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1ccnc(-c2[c-]ccc3c2sc2ccc(-c4ccccc4)cc23)c1.[Ir].

What is the InChIKey of iridium;4-methyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane?

The InChIKey is KDRVMAODYJYEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16NS.C15H18NSi.Ir/c1-16-12-13-25-22(14-16)20-9-5-8-19-21-15-18(17-6-3-2-4-7-17)10-11-23(21)26-24(19)20;1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;/h2-8,10-15H,1H3;5-8,10-11H,1-4H3;/q2*-1;.

What are the key properties of iridium;4-methyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane?

iridium;4-methyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane has a molecular weight of 783.09 g/mol, XLogP of 10.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;4-methyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 166573854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).