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

C57H37N3O — CID 146407693

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

2,6-diphenyl-4-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,2-dihydro-1,3,5-triazine (PubChem CID 146407693) has the molecular formula C57H37N3O and a molecular weight of 779.94 g/mol. Its IUPAC name is 2,6-diphenyl-4-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,2-dihydro-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,6-diphenyl-4-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,2-dihydro-1,3,5-triazine
• PubChem CID: 146407693
• Molecular Formula: C57H37N3O
• Molecular Weight: 779.94 g/mol
• Exact Mass: 779.29
• IUPAC Name: 2,6-diphenyl-4-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,2-dihydro-1,3,5-triazine
• SMILES: c1ccc(C2=NC(c3cccc(-c4cccc(-c5ccc6c(c5)oc5ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc56)c4)c3)=NC(c3ccccc3)N2)cc1
• InChI: InChI=1S/C57H37N3O/c1-3-13-36(14-4-1)55-58-56(37-15-5-2-6-16-37)60-57(59-55)44-20-12-19-40(32-44)38-17-11-18-39(31-38)43-26-29-50-52-34-42(27-30-53(52)61-54(50)35-43)41-25-28-49-47-23-8-7-21-45(47)46-22-9-10-24-48(46)51(49)33-41/h1-35,55H,(H,58,59,60)
• InChIKey: YXTVTOAMHOYUHL-UHFFFAOYSA-N
• XLogP: 14.54
• TPSA: 49.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.94
LogP ≤ 5	14.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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-diphenyl-4-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,2-dihydro-1,3,5-triazine?

The IUPAC name of 2,6-diphenyl-4-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,2-dihydro-1,3,5-triazine (CID 146407693) is 2,6-diphenyl-4-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,2-dihydro-1,3,5-triazine.

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

The canonical SMILES for 2,6-diphenyl-4-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3cccc(-c4cccc(-c5ccc6c(c5)oc5ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc56)c4)c3)=NC(c3ccccc3)N2)cc1.

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

The InChIKey is YXTVTOAMHOYUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3O/c1-3-13-36(14-4-1)55-58-56(37-15-5-2-6-16-37)60-57(59-55)44-20-12-19-40(32-44)38-17-11-18-39(31-38)43-26-29-50-52-34-42(27-30-53(52)61-54(50)35-43)41-25-28-49-47-23-8-7-21-45(47)46-22-9-10-24-48(46)51(49)33-41/h1-35,55H,(H,58,59,60).

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

2,6-diphenyl-4-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,2-dihydro-1,3,5-triazine has a molecular weight of 779.94 g/mol, XLogP of 14.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-diphenyl-4-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 146407693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).