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

C45H31N3OSi — CID 164757103

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

dibenzofuran-4-yl-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane (PubChem CID 164757103) has the molecular formula C45H31N3OSi and a molecular weight of 657.85 g/mol. Its IUPAC name is dibenzofuran-4-yl-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane.

Molecular Properties

• Compound Name: dibenzofuran-4-yl-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane
• PubChem CID: 164757103
• Molecular Formula: C45H31N3OSi
• Molecular Weight: 657.85 g/mol
• Exact Mass: 657.22
• IUPAC Name: dibenzofuran-4-yl-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc5c4oc4ccccc45)c3)n2)cc1
• InChI: InChI=1S/C45H31N3OSi/c1-5-17-32(18-6-1)43-46-44(33-19-7-2-8-20-33)48-45(47-43)34-21-15-26-37(31-34)50(35-22-9-3-10-23-35,36-24-11-4-12-25-36)41-30-16-28-39-38-27-13-14-29-40(38)49-42(39)41/h1-31H
• InChIKey: PLRZJTLOKMQSHC-UHFFFAOYSA-N
• XLogP: 8.15
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.85
LogP ≤ 5	8.15
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 dibenzofuran-4-yl-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane?

The IUPAC name of dibenzofuran-4-yl-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane (CID 164757103) is dibenzofuran-4-yl-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane.

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

The canonical SMILES for dibenzofuran-4-yl-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc5c4oc4ccccc45)c3)n2)cc1.

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

The InChIKey is PLRZJTLOKMQSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3OSi/c1-5-17-32(18-6-1)43-46-44(33-19-7-2-8-20-33)48-45(47-43)34-21-15-26-37(31-34)50(35-22-9-3-10-23-35,36-24-11-4-12-25-36)41-30-16-28-39-38-27-13-14-29-40(38)49-42(39)41/h1-31H.

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

dibenzofuran-4-yl-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane has a molecular weight of 657.85 g/mol, XLogP of 8.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for dibenzofuran-4-yl-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane is sourced from PubChem (CID 164757103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).