2-(9-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine

C51H29N3O2 — CID 174292591

About 2-(9-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine

2-(9-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine (PubChem CID 174292591) has the molecular formula C51H29N3O2 and a molecular weight of 715.81 g/mol. Its IUPAC name is 2-(9-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(9-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
• PubChem CID: 174292591
• Molecular Formula: C51H29N3O2
• Molecular Weight: 715.81 g/mol
• Exact Mass: 715.23
• IUPAC Name: 2-(9-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3cccc4oc5cccc(-c6cccc7c6oc6ccccc67)c5c34)n2)cc1
• InChI: InChI=1S/C51H29N3O2/c1-2-13-30(14-3-1)49-52-50(31-27-28-36-34-17-5-4-15-32(34)33-16-6-7-18-35(33)42(36)29-31)54-51(53-49)41-23-12-26-45-47(41)46-38(20-11-25-44(46)55-45)40-22-10-21-39-37-19-8-9-24-43(37)56-48(39)40/h1-29H
• InChIKey: LURTZQGFAVOMJV-UHFFFAOYSA-N
• XLogP: 13.80
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.81
LogP ≤ 5	13.80
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-(9-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine?

The IUPAC name of 2-(9-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine (CID 174292591) is 2-(9-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine.

What is the SMILES notation for 2-(9-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine?

The canonical SMILES for 2-(9-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3cccc4oc5cccc(-c6cccc7c6oc6ccccc67)c5c34)n2)cc1.

What is the InChIKey of 2-(9-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine?

The InChIKey is LURTZQGFAVOMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3O2/c1-2-13-30(14-3-1)49-52-50(31-27-28-36-34-17-5-4-15-32(34)33-16-6-7-18-35(33)42(36)29-31)54-51(53-49)41-23-12-26-45-47(41)46-38(20-11-25-44(46)55-45)40-22-10-21-39-37-19-8-9-24-43(37)56-48(39)40/h1-29H.

What are the key properties of 2-(9-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine?

2-(9-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine has a molecular weight of 715.81 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine is sourced from PubChem (CID 174292591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).