[4-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

C55H37N3OSi — CID 166569876

About [4-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

[4-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 166569876) has the molecular formula C55H37N3OSi and a molecular weight of 784.01 g/mol. Its IUPAC name is [4-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 166569876
• Molecular Formula: C55H37N3OSi
• Molecular Weight: 784.01 g/mol
• Exact Mass: 783.27
• IUPAC Name: [4-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1
• InChI: InChI=1S/C55H37N3OSi/c1-4-17-44(18-5-1)60(45-19-6-2-7-20-45,46-21-8-3-9-22-46)47-35-33-41(34-36-47)54-56-53(40-30-27-39(28-31-40)43-32-29-38-15-10-11-16-42(38)37-43)57-55(58-54)49-24-14-26-51-52(49)48-23-12-13-25-50(48)59-51/h1-37H
• InChIKey: VRGZFPJIGAVDBU-UHFFFAOYSA-N
• XLogP: 10.97
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.01
LogP ≤ 5	10.97
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 [4-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The IUPAC name of [4-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 166569876) is [4-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [4-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1.

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

The InChIKey is VRGZFPJIGAVDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3OSi/c1-4-17-44(18-5-1)60(45-19-6-2-7-20-45,46-21-8-3-9-22-46)47-35-33-41(34-36-47)54-56-53(40-30-27-39(28-31-40)43-32-29-38-15-10-11-16-42(38)37-43)57-55(58-54)49-24-14-26-51-52(49)48-23-12-13-25-50(48)59-51/h1-37H.

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

[4-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane has a molecular weight of 784.01 g/mol, XLogP of 10.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 166569876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).