2-(4-Bromonaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
Basic information
- CAS
2409786-16-7- Standard SMILES
Brc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c2ccccc12- InChIKey
OFOSZTKKZORXOG-UHFFFAOYSA-N- Molecular formula
- C33H20BrN3
- Average molar mass
- 538.4 g/mol
Names & identifiers
- Preferred name
- 2-(4-Bromonaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
- IUPAC
- 2-(4-bromonaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
- English name
- 2-(8-chlorodibenzo[b,d]furan-1-yl)-4,6-diphenyl-1,3,5-triazine
- Molecular formula
- C33H20BrN3
- Molecular weight
- 538.44
Names & synonyms
SCHEMBL216507011,3,5-Triazine, 2-(4-bromo-1-naphthalenyl)-4,6-di-2-naphthalenyl-2-(4-bromonaphthalen-1-yl)-4,6 -di(naphthalen-2-yl)-1,3,5-tri azine
Database identifiers
- CAS
2409786-16-7
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 718
Physicochemical properties
- Boiling point
- 781.2 · 781.2±62.0 °C(Predicted)
- Density
- 1.404 · 1.404±0.06 g/cm3(Predicted)
- pka
- 0.27 · 0.27±0.10(Predicted)
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Compound notes
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