Basic information
- CAS
89571-40-4- Standard SMILES
CCCc1c(C(=O)O)c(-c2cccc3ccccc23)c(CCC)c2c1-c1cccc3cccc-2c13- InChIKey
HZFBTUAYDXEOHE-UHFFFAOYSA-N- Molecular formula
- C33H28O2
- Average molar mass
- 456.6 g/mol
- Monoisotopic mass
- 456.20893013
Names & identifiers
- Preferred name
- 9-(Naphthalen-1-yl)-7,10-dipropylfluoranthene-8-carboxylic acid
- IUPAC
- 9-naphthalen-1-yl-7,10-dipropylfluoranthene-8-carboxylic acid
Names & synonyms
89571-40-4NSC326143DTXSID903181019-(Naphthalen-1-yl)-7,10-dipropylfluoranthene-8-carboxylic acidNSC-326143
Database identifiers
- CAS
89571-40-4- PubChem CID
- 331685
- DTXSID
DTXSID90318101
Properties
Computed structural properties
- XLogP
- 9.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 745
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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