2-(6,7-dihydrodibenzofuran-1-yl)-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine

C51H31N3O2 — CID 146407661

About 2-(6,7-dihydrodibenzofuran-1-yl)-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine

2-(6,7-dihydrodibenzofuran-1-yl)-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine (PubChem CID 146407661) has the molecular formula C51H31N3O2 and a molecular weight of 717.83 g/mol. Its IUPAC name is 2-(6,7-dihydrodibenzofuran-1-yl)-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(6,7-dihydrodibenzofuran-1-yl)-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
• PubChem CID: 146407661
• Molecular Formula: C51H31N3O2
• Molecular Weight: 717.83 g/mol
• Exact Mass: 717.24
• IUPAC Name: 2-(6,7-dihydrodibenzofuran-1-yl)-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
• SMILES: C1=Cc2c(oc3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc56)n4)c23)CC1
• InChI: InChI=1S/C51H31N3O2/c1-2-11-30(12-3-1)49-52-50(54-51(53-49)41-18-10-20-46-48(41)40-17-8-9-19-44(40)55-46)33-22-25-39-43-28-32(23-26-45(43)56-47(39)29-33)31-21-24-38-36-15-5-4-13-34(36)35-14-6-7-16-37(35)42(38)27-31/h1-8,10-18,20-29H,9,19H2
• InChIKey: WPPLOMBNSMNKBI-UHFFFAOYSA-N
• XLogP: 13.60
• 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	717.83
LogP ≤ 5	13.60
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-(6,7-dihydrodibenzofuran-1-yl)-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine?

The IUPAC name of 2-(6,7-dihydrodibenzofuran-1-yl)-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine (CID 146407661) is 2-(6,7-dihydrodibenzofuran-1-yl)-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine.

What is the SMILES notation for 2-(6,7-dihydrodibenzofuran-1-yl)-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine?

The canonical SMILES for 2-(6,7-dihydrodibenzofuran-1-yl)-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine is C1=Cc2c(oc3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc56)n4)c23)CC1.

What is the InChIKey of 2-(6,7-dihydrodibenzofuran-1-yl)-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine?

The InChIKey is WPPLOMBNSMNKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O2/c1-2-11-30(12-3-1)49-52-50(54-51(53-49)41-18-10-20-46-48(41)40-17-8-9-19-44(40)55-46)33-22-25-39-43-28-32(23-26-45(43)56-47(39)29-33)31-21-24-38-36-15-5-4-13-34(36)35-14-6-7-16-37(35)42(38)27-31/h1-8,10-18,20-29H,9,19H2.

What are the key properties of 2-(6,7-dihydrodibenzofuran-1-yl)-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine?

2-(6,7-dihydrodibenzofuran-1-yl)-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine has a molecular weight of 717.83 g/mol, XLogP of 13.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,7-dihydrodibenzofuran-1-yl)-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine is sourced from PubChem (CID 146407661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).