Basic information
- CAS
28390-42-3- Standard SMILES
Cc1ccc2ccc3ccc4cccc-4c4ccc1c2c34- InChIKey
TYRORLIDKGRAGF-UHFFFAOYSA-N- Molecular formula
- C21H14
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 266.10955045
Names & identifiers
- Preferred name
- AZULENO(5,6,7-cd)PHENALENE, METHYL-
- IUPAC
- 15-methylpentacyclo[10.6.2.02,6.09,19.016,20]icosa-1(19),2,4,6,8,10,12(20),13,15,17-decaene
Names & synonyms
AZULENO(5,6,7-cd)PHENALENE, METHYL-28390-42-3Methyl-azuleno(5,6,7-c,d)phenaleneDTXSID001826181-Methylazuleno[4,5,6-cd]phenalene
Database identifiers
- CAS
28390-42-3- PubChem CID
- 34232
- DTXSID
DTXSID00182618
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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