2-[3-(3-dibenzotellurophen-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine

C39H25N3Te — CID 168739703

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

2-[3-(3-dibenzotellurophen-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 168739703) has the molecular formula C39H25N3Te and a molecular weight of 663.25 g/mol. Its IUPAC name is 2-[3-(3-dibenzotellurophen-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-(3-dibenzotellurophen-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 168739703
• Molecular Formula: C39H25N3Te
• Molecular Weight: 663.25 g/mol
• Exact Mass: 665.11
• IUPAC Name: 2-[3-(3-dibenzotellurophen-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5[te]c5ccccc56)c4)c3)n2)cc1
• InChI: InChI=1S/C39H25N3Te/c1-3-12-26(13-4-1)37-40-38(27-14-5-2-6-15-27)42-39(41-37)31-19-10-17-29(25-31)28-16-9-18-30(24-28)32-21-11-22-34-33-20-7-8-23-35(33)43-36(32)34/h1-25H
• InChIKey: JRJHIWNOFWFEQD-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	663.25
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-[3-(3-dibenzotellurophen-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-[3-(3-dibenzotellurophen-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 168739703) is 2-[3-(3-dibenzotellurophen-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine.

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

The canonical SMILES for 2-[3-(3-dibenzotellurophen-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5[te]c5ccccc56)c4)c3)n2)cc1.

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

The InChIKey is JRJHIWNOFWFEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3Te/c1-3-12-26(13-4-1)37-40-38(27-14-5-2-6-15-27)42-39(41-37)31-19-10-17-29(25-31)28-16-9-18-30(24-28)32-21-11-22-34-33-20-7-8-23-35(33)43-36(32)34/h1-25H.

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

2-[3-(3-dibenzotellurophen-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 663.25 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-[3-(3-dibenzotellurophen-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 168739703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).