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

C49H29N3OSe — CID 164943663

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

2-dibenzofuran-1-yl-4-phenyl-6-[6-(6-phenyldibenzoselenophen-4-yl)naphthalen-1-yl]-1,3,5-triazine (PubChem CID 164943663) has the molecular formula C49H29N3OSe and a molecular weight of 754.75 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-phenyl-6-[6-(6-phenyldibenzoselenophen-4-yl)naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-phenyl-6-[6-(6-phenyldibenzoselenophen-4-yl)naphthalen-1-yl]-1,3,5-triazine
• PubChem CID: 164943663
• Molecular Formula: C49H29N3OSe
• Molecular Weight: 754.75 g/mol
• Exact Mass: 755.15
• IUPAC Name: 2-dibenzofuran-1-yl-4-phenyl-6-[6-(6-phenyldibenzoselenophen-4-yl)naphthalen-1-yl]-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3cccc4cc(-c5cccc6c5[se]c5c(-c7ccccc7)cccc56)ccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
• InChI: InChI=1S/C49H29N3OSe/c1-3-13-30(14-4-1)35-19-10-21-37-38-22-11-20-36(46(38)54-45(35)37)33-27-28-34-32(29-33)17-9-23-39(34)48-50-47(31-15-5-2-6-16-31)51-49(52-48)41-24-12-26-43-44(41)40-18-7-8-25-42(40)53-43/h1-29H
• InChIKey: YFTQFQUVTBXHAC-UHFFFAOYSA-N
• XLogP: 12.62
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	754.75
LogP ≤ 5	12.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-[6-(6-phenyldibenzoselenophen-4-yl)naphthalen-1-yl]-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-[6-(6-phenyldibenzoselenophen-4-yl)naphthalen-1-yl]-1,3,5-triazine (CID 164943663) is 2-dibenzofuran-1-yl-4-phenyl-6-[6-(6-phenyldibenzoselenophen-4-yl)naphthalen-1-yl]-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzofuran-1-yl-4-phenyl-6-[6-(6-phenyldibenzoselenophen-4-yl)naphthalen-1-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3cccc4cc(-c5cccc6c5[se]c5c(-c7ccccc7)cccc56)ccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1.

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

The InChIKey is YFTQFQUVTBXHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3OSe/c1-3-13-30(14-4-1)35-19-10-21-37-38-22-11-20-36(46(38)54-45(35)37)33-27-28-34-32(29-33)17-9-23-39(34)48-50-47(31-15-5-2-6-16-31)51-49(52-48)41-24-12-26-43-44(41)40-18-7-8-25-42(40)53-43/h1-29H.

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

2-dibenzofuran-1-yl-4-phenyl-6-[6-(6-phenyldibenzoselenophen-4-yl)naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 754.75 g/mol, XLogP of 12.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-4-phenyl-6-[6-(6-phenyldibenzoselenophen-4-yl)naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 164943663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).