Sbb059201
Basic information
- CAS
57202-50-3- Standard SMILES
CCCCCCCCOc1ccc(-c2ncc(CCCCCCCC)cn2)cc1- InChIKey
YSLLSTYBZAIXMY-UHFFFAOYSA-N- Molecular formula
- C26H40N2O
- Average molar mass
- 396.6 g/mol
- Monoisotopic mass
- 396.3140639
Names & identifiers
- Preferred name
- Sbb059201
- IUPAC
- 2-(4-octoxyphenyl)-5-octylpyrimidine
- English name
- 5-Octyl-2-(4-octyloxyphenyl)pyrimidine
- Molecular formula
- C26H40N2O
- Molecular weight
- 396.61
Names & synonyms
57202-50-3SBB059201DTXSID20391381RefChem:379989DTXCID703422425-Octyl-2-(4-(octyloxy)phenyl)pyrimidine2-(4-octoxyphenyl)-5-octylpyrimidine5-octyl-2-[4-(octyloxy)phenyl]pyrimidine5-n-Octyl-2-[4-(n-octyloxy)-phenyl]-pyrimidine4-octyloxy-1-(5-octylpyrimidin-2-yl)benzeneCDS1_002693ChemDiv1_018949
Show more names
5-Octyl-2-(4-octyloxyphenyl)pyrimidinePyrimidine, 5-octyl-2-[4-(octyloxy)phenyl]-5-N-OCTYL-2-[4-(N-OCTYLOXY)-PHENYL]-PYRIMIDINE: 99.5%
DivK1c_003733SCHEMBL5393395SCHEMBL8635765HMS640N07MFCD00601711AKOS001584130SB578775-octyl-2-(4-octyloxyphenyl) pyrimidine
Database identifiers
- CAS
57202-50-3- PubChem CID
- 3315465
- DTXSID
DTXSID20391381- Nikkaji
- J1.314.220C
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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