2,4-diphenyl-6-[3-(6-phenyldibenzoselenophen-4-yl)phenyl]-1,3,5-triazine

C39H25N3Se — CID 158019216

About 2,4-diphenyl-6-[3-(6-phenyldibenzoselenophen-4-yl)phenyl]-1,3,5-triazine

2,4-diphenyl-6-[3-(6-phenyldibenzoselenophen-4-yl)phenyl]-1,3,5-triazine (PubChem CID 158019216) has the molecular formula C39H25N3Se and a molecular weight of 614.61 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-(6-phenyldibenzoselenophen-4-yl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[3-(6-phenyldibenzoselenophen-4-yl)phenyl]-1,3,5-triazine
• PubChem CID: 158019216
• Molecular Formula: C39H25N3Se
• Molecular Weight: 614.61 g/mol
• Exact Mass: 615.12
• IUPAC Name: 2,4-diphenyl-6-[3-(6-phenyldibenzoselenophen-4-yl)phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4[se]c4c(-c6ccccc6)cccc45)c3)n2)cc1
• InChI: InChI=1S/C39H25N3Se/c1-4-13-26(14-5-1)31-21-11-23-33-34-24-12-22-32(36(34)43-35(31)33)29-19-10-20-30(25-29)39-41-37(27-15-6-2-7-16-27)40-38(42-39)28-17-8-3-9-18-28/h1-25H
• InChIKey: UNGGCWBTWXIUPY-UHFFFAOYSA-N
• XLogP: 9.57
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.61
LogP ≤ 5	9.57
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 2,4-diphenyl-6-[3-(6-phenyldibenzoselenophen-4-yl)phenyl]-1,3,5-triazine?

The IUPAC name of 2,4-diphenyl-6-[3-(6-phenyldibenzoselenophen-4-yl)phenyl]-1,3,5-triazine (CID 158019216) is 2,4-diphenyl-6-[3-(6-phenyldibenzoselenophen-4-yl)phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2,4-diphenyl-6-[3-(6-phenyldibenzoselenophen-4-yl)phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4[se]c4c(-c6ccccc6)cccc45)c3)n2)cc1.

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

The InChIKey is UNGGCWBTWXIUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3Se/c1-4-13-26(14-5-1)31-21-11-23-33-34-24-12-22-32(36(34)43-35(31)33)29-19-10-20-30(25-29)39-41-37(27-15-6-2-7-16-27)40-38(42-39)28-17-8-3-9-18-28/h1-25H.

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

2,4-diphenyl-6-[3-(6-phenyldibenzoselenophen-4-yl)phenyl]-1,3,5-triazine has a molecular weight of 614.61 g/mol, XLogP of 9.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-[3-(6-phenyldibenzoselenophen-4-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 158019216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).