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

C49H33N3OSi — CID 166569883

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

[3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane (PubChem CID 166569883) has the molecular formula C49H33N3OSi and a molecular weight of 707.91 g/mol. Its IUPAC name is [3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane
• PubChem CID: 166569883
• Molecular Formula: C49H33N3OSi
• Molecular Weight: 707.91 g/mol
• Exact Mass: 707.24
• IUPAC Name: [3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1
• InChI: InChI=1S/C49H33N3OSi/c1-4-19-38(20-5-1)54(39-21-6-2-7-22-39,40-23-8-3-9-24-40)41-25-14-18-36(33-41)47-50-48(37-31-30-34-16-10-11-17-35(34)32-37)52-49(51-47)43-27-15-29-45-46(43)42-26-12-13-28-44(42)53-45/h1-33H
• InChIKey: TXAWQOVBBIKKRV-UHFFFAOYSA-N
• XLogP: 9.30
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.91
LogP ≤ 5	9.30
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 [3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane?

The IUPAC name of [3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane (CID 166569883) is [3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane.

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

The canonical SMILES for [3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1.

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

The InChIKey is TXAWQOVBBIKKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3OSi/c1-4-19-38(20-5-1)54(39-21-6-2-7-22-39,40-23-8-3-9-24-40)41-25-14-18-36(33-41)47-50-48(37-31-30-34-16-10-11-17-35(34)32-37)52-49(51-47)43-27-15-29-45-46(43)42-26-12-13-28-44(42)53-45/h1-33H.

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

[3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane has a molecular weight of 707.91 g/mol, XLogP of 9.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane is sourced from PubChem (CID 166569883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).