2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine

C57H33N3O2 — CID 134199357

About 2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine

2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine (PubChem CID 134199357) has the molecular formula C57H33N3O2 and a molecular weight of 791.91 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
• PubChem CID: 134199357
• Molecular Formula: C57H33N3O2
• Molecular Weight: 791.91 g/mol
• Exact Mass: 791.26
• IUPAC Name: 2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3cccc(-c4cccc5oc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c45)c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1
• InChI: InChI=1S/C57H33N3O2/c1-2-12-34(13-3-1)55-58-56(60-57(59-55)39-26-29-51-48(33-39)46-20-8-9-22-50(46)61-51)38-15-10-14-37(30-38)40-21-11-23-53-54(40)49-32-36(25-28-52(49)62-53)35-24-27-45-43-18-5-4-16-41(43)42-17-6-7-19-44(42)47(45)31-35/h1-33H
• InChIKey: BAFQIBRGPPZQJC-UHFFFAOYSA-N
• XLogP: 15.47
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.91
LogP ≤ 5	15.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine (CID 134199357) is 2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4cccc5oc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c45)c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.

What is the InChIKey of 2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine?

The InChIKey is BAFQIBRGPPZQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N3O2/c1-2-12-34(13-3-1)55-58-56(60-57(59-55)39-26-29-51-48(33-39)46-20-8-9-22-50(46)61-51)38-15-10-14-37(30-38)40-21-11-23-53-54(40)49-32-36(25-28-52(49)62-53)35-24-27-45-43-18-5-4-16-41(43)42-17-6-7-19-44(42)47(45)31-35/h1-33H.

What are the key properties of 2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine?

2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine has a molecular weight of 791.91 g/mol, XLogP of 15.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 134199357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).