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

C63H41N3O2 — CID 163856482

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

6-dibenzofuran-4-yl-2-phenyl-4-[4-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-2-yl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 163856482) has the molecular formula C63H41N3O2 and a molecular weight of 872.04 g/mol. Its IUPAC name is 6-dibenzofuran-4-yl-2-phenyl-4-[4-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-2-yl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

• Compound Name: 6-dibenzofuran-4-yl-2-phenyl-4-[4-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-2-yl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
• PubChem CID: 163856482
• Molecular Formula: C63H41N3O2
• Molecular Weight: 872.04 g/mol
• Exact Mass: 871.32
• IUPAC Name: 6-dibenzofuran-4-yl-2-phenyl-4-[4-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-2-yl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
• SMILES: c1ccc(C2NC(c3cccc4c3oc3ccccc34)=NC(c3ccc(-c4ccc5oc6ccccc6c5c4-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)N2)cc1
• InChI: InChI=1S/C63H41N3O2/c1-2-13-41(14-3-1)61-64-62(66-63(65-61)53-22-12-21-51-50-19-8-10-23-55(50)68-60(51)53)42-31-27-39(28-32-42)44-35-36-57-59(52-20-9-11-24-56(52)67-57)58(44)40-29-25-38(26-30-40)43-33-34-49-47-17-5-4-15-45(47)46-16-6-7-18-48(46)54(49)37-43/h1-37,61-62,64H,(H,65,66)
• InChIKey: OYSWOVKFPBRCNB-UHFFFAOYSA-N
• XLogP: 16.28
• TPSA: 62.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	872.04
LogP ≤ 5	16.28
H-Bond Donors ≤ 5	2
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 6-dibenzofuran-4-yl-2-phenyl-4-[4-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-2-yl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine?

The IUPAC name of 6-dibenzofuran-4-yl-2-phenyl-4-[4-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-2-yl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine (CID 163856482) is 6-dibenzofuran-4-yl-2-phenyl-4-[4-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-2-yl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine.

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

The canonical SMILES for 6-dibenzofuran-4-yl-2-phenyl-4-[4-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-2-yl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine is c1ccc(C2NC(c3cccc4c3oc3ccccc34)=NC(c3ccc(-c4ccc5oc6ccccc6c5c4-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)N2)cc1.

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

The InChIKey is OYSWOVKFPBRCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N3O2/c1-2-13-41(14-3-1)61-64-62(66-63(65-61)53-22-12-21-51-50-19-8-10-23-55(50)68-60(51)53)42-31-27-39(28-32-42)44-35-36-57-59(52-20-9-11-24-56(52)67-57)58(44)40-29-25-38(26-30-40)43-33-34-49-47-17-5-4-15-45(47)46-16-6-7-18-48(46)54(49)37-43/h1-37,61-62,64H,(H,65,66).

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

6-dibenzofuran-4-yl-2-phenyl-4-[4-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-2-yl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 872.04 g/mol, XLogP of 16.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-dibenzofuran-4-yl-2-phenyl-4-[4-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-2-yl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 163856482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).