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

C53H35N3OSi — CID 166569913

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

[4-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-triphenylsilane (PubChem CID 166569913) has the molecular formula C53H35N3OSi and a molecular weight of 757.97 g/mol. Its IUPAC name is [4-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-triphenylsilane
• PubChem CID: 166569913
• Molecular Formula: C53H35N3OSi
• Molecular Weight: 757.97 g/mol
• Exact Mass: 757.25
• IUPAC Name: [4-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6ccccc6c45)n3)c3ccccc3c2)cc1
• InChI: InChI=1S/C53H35N3OSi/c1-4-20-40(21-5-1)58(41-22-6-2-7-23-41,42-24-8-3-9-25-42)43-34-38-19-12-13-26-44(38)47(35-43)53-55-51(39-32-31-36-17-10-11-18-37(36)33-39)54-52(56-53)46-28-16-30-49-50(46)45-27-14-15-29-48(45)57-49/h1-35H
• InChIKey: FNVZRHUEVDEIFM-UHFFFAOYSA-N
• XLogP: 10.46
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.97
LogP ≤ 5	10.46
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-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-triphenylsilane?

The IUPAC name of [4-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-triphenylsilane (CID 166569913) is [4-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-triphenylsilane.

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

The canonical SMILES for [4-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6ccccc6c45)n3)c3ccccc3c2)cc1.

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

The InChIKey is FNVZRHUEVDEIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3OSi/c1-4-20-40(21-5-1)58(41-22-6-2-7-23-41,42-24-8-3-9-25-42)43-34-38-19-12-13-26-44(38)47(35-43)53-55-51(39-32-31-36-17-10-11-18-37(36)33-39)54-52(56-53)46-28-16-30-49-50(46)45-27-14-15-29-48(45)57-49/h1-35H.

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

[4-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-triphenylsilane has a molecular weight of 757.97 g/mol, XLogP of 10.46, 7 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-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-triphenylsilane is sourced from PubChem (CID 166569913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).