[2-[4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

C55H37N3SSi — CID 166569952

About [2-[4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

[2-[4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 166569952) has the molecular formula C55H37N3SSi and a molecular weight of 800.08 g/mol. Its IUPAC name is [2-[4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [2-[4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 166569952
• Molecular Formula: C55H37N3SSi
• Molecular Weight: 800.08 g/mol
• Exact Mass: 799.25
• IUPAC Name: [2-[4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: c1ccc(-c2ccc3cc(-c4nc(-c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc5)nc(-c5cccc6sc7ccccc7c56)n4)ccc3c2)cc1
• InChI: InChI=1S/C55H37N3SSi/c1-5-18-38(19-6-1)39-32-33-41-37-42(35-34-40(41)36-39)53-56-54(58-55(57-53)48-28-17-30-50-52(48)46-26-13-15-29-49(46)59-50)47-27-14-16-31-51(47)60(43-20-7-2-8-21-43,44-22-9-3-10-23-44)45-24-11-4-12-25-45/h1-37H
• InChIKey: ALRKIUGFDFQYJB-UHFFFAOYSA-N
• XLogP: 11.44
• TPSA: 38.67 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	800.08
LogP ≤ 5	11.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The IUPAC name of [2-[4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 166569952) is [2-[4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [2-[4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The canonical SMILES for [2-[4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc(-c2ccc3cc(-c4nc(-c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc5)nc(-c5cccc6sc7ccccc7c56)n4)ccc3c2)cc1.

What is the InChIKey of [2-[4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The InChIKey is ALRKIUGFDFQYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3SSi/c1-5-18-38(19-6-1)39-32-33-41-37-42(35-34-40(41)36-39)53-56-54(58-55(57-53)48-28-17-30-50-52(48)46-26-13-15-29-49(46)59-50)47-27-14-16-31-51(47)60(43-20-7-2-8-21-43,44-22-9-3-10-23-44)45-24-11-4-12-25-45/h1-37H.

What are the key properties of [2-[4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

[2-[4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane has a molecular weight of 800.08 g/mol, XLogP of 11.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 166569952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).