Basic information
- Standard SMILES
O=C1c2ccc3c4cccc5cccc(c6ccc(c2c36)C(=O)N1C1CCCCCCC1)c54- InChIKey
WRJVRADLDBPLIA-UHFFFAOYSA-N- Molecular formula
- C30H25NO2
- Average molar mass
- 431.5 g/mol
Names & identifiers
- Preferred name
- N-Cyclooctylperylene-3,4-dicarboximide
- IUPAC
- 16-cyclooctyl-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,11,13,18(22),19-decaene-15,17-dione
Names & synonyms
SCHEMBL8878000WRJVRADLDBPLIA-UHFFFAOYSA-NN-Cyclooctylperylene-3,4-dicarboximide
Database identifiers
- PubChem CID
- 15219583
- Nikkaji
- J663.764G
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 734
Related reactions
1 records
Compound notes
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