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

C43H27N3Se — CID 164943527

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

2,4-diphenyl-6-[5-(6-phenyldibenzoselenophen-4-yl)naphthalen-2-yl]-1,3,5-triazine (PubChem CID 164943527) has the molecular formula C43H27N3Se and a molecular weight of 664.67 g/mol. Its IUPAC name is 2,4-diphenyl-6-[5-(6-phenyldibenzoselenophen-4-yl)naphthalen-2-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[5-(6-phenyldibenzoselenophen-4-yl)naphthalen-2-yl]-1,3,5-triazine
• PubChem CID: 164943527
• Molecular Formula: C43H27N3Se
• Molecular Weight: 664.67 g/mol
• Exact Mass: 665.14
• IUPAC Name: 2,4-diphenyl-6-[5-(6-phenyldibenzoselenophen-4-yl)naphthalen-2-yl]-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(-c5cccc6c5[se]c5c(-c7ccccc7)cccc56)cccc4c3)n2)cc1
• InChI: InChI=1S/C43H27N3Se/c1-4-13-28(14-5-1)34-20-11-23-37-38-24-12-22-36(40(38)47-39(34)37)35-21-10-19-31-27-32(25-26-33(31)35)43-45-41(29-15-6-2-7-16-29)44-42(46-43)30-17-8-3-9-18-30/h1-27H
• InChIKey: FMQVQBNQAACRON-UHFFFAOYSA-N
• XLogP: 10.72
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.67
LogP ≤ 5	10.72
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-[5-(6-phenyldibenzoselenophen-4-yl)naphthalen-2-yl]-1,3,5-triazine?

The IUPAC name of 2,4-diphenyl-6-[5-(6-phenyldibenzoselenophen-4-yl)naphthalen-2-yl]-1,3,5-triazine (CID 164943527) is 2,4-diphenyl-6-[5-(6-phenyldibenzoselenophen-4-yl)naphthalen-2-yl]-1,3,5-triazine.

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

The canonical SMILES for 2,4-diphenyl-6-[5-(6-phenyldibenzoselenophen-4-yl)naphthalen-2-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(-c5cccc6c5[se]c5c(-c7ccccc7)cccc56)cccc4c3)n2)cc1.

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

The InChIKey is FMQVQBNQAACRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3Se/c1-4-13-28(14-5-1)34-20-11-23-37-38-24-12-22-36(40(38)47-39(34)37)35-21-10-19-31-27-32(25-26-33(31)35)43-45-41(29-15-6-2-7-16-29)44-42(46-43)30-17-8-3-9-18-30/h1-27H.

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

2,4-diphenyl-6-[5-(6-phenyldibenzoselenophen-4-yl)naphthalen-2-yl]-1,3,5-triazine has a molecular weight of 664.67 g/mol, XLogP of 10.72, 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-[5-(6-phenyldibenzoselenophen-4-yl)naphthalen-2-yl]-1,3,5-triazine is sourced from PubChem (CID 164943527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).