Basic information
- CAS
119800-11-2- Standard SMILES
CCCCCCCCc1cnc(-c2ccc(-c3ccc(OCCCCCC)cc3)cc2)nc1- InChIKey
UXAQOTPYCONOKE-UHFFFAOYSA-N- Molecular formula
- C30H40N2O
- Average molar mass
- 444.7 g/mol
- Monoisotopic mass
- 444.3140639
Names & identifiers
- Preferred name
- 2-[4'-(Hexyloxy)[1,1'-biphenyl]-4-yl]-5-octylpyrimidine
- IUPAC
- 2-[4-(4-hexoxyphenyl)phenyl]-5-octylpyrimidine
Names & synonyms
119800-11-2SCHEMBL9637749DTXSID307109432-[4'-(Hexyloxy)[1,1'-biphenyl]-4-yl]-5-octylpyrimidine
Database identifiers
- CAS
119800-11-2- PubChem CID
- 54376736
- DTXSID
DTXSID30710943- Nikkaji
- J2.969.547D
Properties
Computed structural properties
- XLogP
- 9.8
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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