2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine

C72H44N6O2 — CID 165018119

About 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine (PubChem CID 165018119) has the molecular formula C72H44N6O2 and a molecular weight of 1025.18 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
• PubChem CID: 165018119
• Molecular Formula: C72H44N6O2
• Molecular Weight: 1025.18 g/mol
• Exact Mass: 1024.35
• IUPAC Name: 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)n2)cc1
• InChI: InChI=1S/C39H25N3.C33H19N3O2/c1-3-12-26(13-4-1)37-40-38(27-14-5-2-6-15-27)42-39(41-37)30-17-11-16-28(24-30)29-22-23-35-33-20-8-7-18-31(33)32-19-9-10-21-34(32)36(35)25-29;1-2-10-20(11-3-1)31-34-32(24-15-9-19-28-29(24)23-13-5-7-18-27(23)37-28)36-33(35-31)25-16-8-14-22-21-12-4-6-17-26(21)38-30(22)25/h1-25H;1-19H
• InChIKey: KTAMXUNFVXOMAQ-UHFFFAOYSA-N
• XLogP: 18.67
• TPSA: 103.62 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1025.18
LogP ≤ 5	18.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-1-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine (CID 165018119) is 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)n2)cc1.

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

The InChIKey is KTAMXUNFVXOMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3.C33H19N3O2/c1-3-12-26(13-4-1)37-40-38(27-14-5-2-6-15-27)42-39(41-37)30-17-11-16-28(24-30)29-22-23-35-33-20-8-7-18-31(33)32-19-9-10-21-34(32)36(35)25-29;1-2-10-20(11-3-1)31-34-32(24-15-9-19-28-29(24)23-13-5-7-18-27(23)37-28)36-33(35-31)25-16-8-14-22-21-12-4-6-17-26(21)38-30(22)25/h1-25H;1-19H.

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

2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine has a molecular weight of 1025.18 g/mol, XLogP of 18.67, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 165018119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).