Basic information
- CAS
345658-37-9- Standard SMILES
CCCCC(CC)COc1ccc(-c2nc(-c3ccc(OCC(CC)CCCC)cc3O)nc(-c3ccc(OCC(CC)CCCC)cc3O)n2)c(O)c1- InChIKey
ATHOWRXAIRUJLS-UHFFFAOYSA-N- Molecular formula
- C45H63N3O6
- Average molar mass
- 742 g/mol
- Monoisotopic mass
- 741.47168674
Names & identifiers
- Preferred name
- C5U25UE3YR
- IUPAC
- 2-[4,6-bis[4-(2-ethylhexoxy)-2-hydroxyphenyl]-1,3,5-triazin-2-yl]-5-(2-ethylhexoxy)phenol
Names & synonyms
C5U25UE3YRUNII-C5U25UE3YR2,2',2''-(1,3,5-Triazine-2,4,6-triyl)tris(5-((2-ethylhexyl)oxy)phenol)Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris(5-((2-ethylhexyl)oxy)-345658-37-9SCHEMBL7217044
Database identifiers
- CAS
345658-37-9- PubChem CID
- 135966497
- UNII
- C5U25UE3YR
Properties
Computed structural properties
- XLogP
- 13.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 24
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 847
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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