2-(5-dibenzoselenophen-4-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine

C37H23N3Se — CID 164943600

About 2-(5-dibenzoselenophen-4-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine

2-(5-dibenzoselenophen-4-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 164943600) has the molecular formula C37H23N3Se and a molecular weight of 588.57 g/mol. Its IUPAC name is 2-(5-dibenzoselenophen-4-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(5-dibenzoselenophen-4-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 164943600
• Molecular Formula: C37H23N3Se
• Molecular Weight: 588.57 g/mol
• Exact Mass: 589.11
• IUPAC Name: 2-(5-dibenzoselenophen-4-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(-c5cccc6c5[se]c5ccccc56)cccc4c3)n2)cc1
• InChI: InChI=1S/C37H23N3Se/c1-3-11-24(12-4-1)35-38-36(25-13-5-2-6-14-25)40-37(39-35)27-21-22-28-26(23-27)15-9-17-29(28)31-18-10-19-32-30-16-7-8-20-33(30)41-34(31)32/h1-23H
• InChIKey: BJSUSJIAUMZRFJ-UHFFFAOYSA-N
• XLogP: 9.06
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.57
LogP ≤ 5	9.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(5-dibenzoselenophen-4-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-(5-dibenzoselenophen-4-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine (CID 164943600) is 2-(5-dibenzoselenophen-4-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-(5-dibenzoselenophen-4-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-(5-dibenzoselenophen-4-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(-c5cccc6c5[se]c5ccccc56)cccc4c3)n2)cc1.

What is the InChIKey of 2-(5-dibenzoselenophen-4-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine?

The InChIKey is BJSUSJIAUMZRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3Se/c1-3-11-24(12-4-1)35-38-36(25-13-5-2-6-14-25)40-37(39-35)27-21-22-28-26(23-27)15-9-17-29(28)31-18-10-19-32-30-16-7-8-20-33(30)41-34(31)32/h1-23H.

What are the key properties of 2-(5-dibenzoselenophen-4-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine?

2-(5-dibenzoselenophen-4-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 588.57 g/mol, XLogP of 9.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-dibenzoselenophen-4-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 164943600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).