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

C59H39N3OSi — CID 166569951

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

[4-[4-dibenzofuran-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 166569951) has the molecular formula C59H39N3OSi and a molecular weight of 834.07 g/mol. Its IUPAC name is [4-[4-dibenzofuran-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-[4-dibenzofuran-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 166569951
• Molecular Formula: C59H39N3OSi
• Molecular Weight: 834.07 g/mol
• Exact Mass: 833.29
• IUPAC Name: [4-[4-dibenzofuran-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3nc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)nc(-c4ccc5oc6ccccc6c5c4)n3)cc2)cc1
• InChI: InChI=1S/C59H39N3OSi/c1-4-16-49(17-5-1)64(50-18-6-2-7-19-50,51-20-8-3-9-21-51)52-33-30-41(31-34-52)57-60-58(62-59(61-57)48-32-35-56-54(39-48)53-22-12-13-23-55(53)63-56)47-29-28-45-37-44(26-27-46(45)38-47)43-25-24-40-14-10-11-15-42(40)36-43/h1-39H
• InChIKey: KMNLAQXXLVTOCG-UHFFFAOYSA-N
• XLogP: 12.12
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.07
LogP ≤ 5	12.12
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-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The IUPAC name of [4-[4-dibenzofuran-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 166569951) is [4-[4-dibenzofuran-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [4-[4-dibenzofuran-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3nc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)nc(-c4ccc5oc6ccccc6c5c4)n3)cc2)cc1.

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

The InChIKey is KMNLAQXXLVTOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N3OSi/c1-4-16-49(17-5-1)64(50-18-6-2-7-19-50,51-20-8-3-9-21-51)52-33-30-41(31-34-52)57-60-58(62-59(61-57)48-32-35-56-54(39-48)53-22-12-13-23-55(53)63-56)47-29-28-45-37-44(26-27-46(45)38-47)43-25-24-40-14-10-11-15-42(40)36-43/h1-39H.

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

[4-[4-dibenzofuran-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane has a molecular weight of 834.07 g/mol, XLogP of 12.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-dibenzofuran-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 166569951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).