Basic information
- CAS
196-45-2- Standard SMILES
c1ccc2cc3cc4c(cc3cc2c1)cc1ccc2cccc3ccc4c1c23- InChIKey
VOOIVKLLIFRUDQ-UHFFFAOYSA-N- Molecular formula
- C28H16
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.12520051
Names & identifiers
- Preferred name
- Naphtho(2,1,8-uva)pentacene
- IUPAC
- heptacyclo[18.6.2.02,15.04,13.06,11.017,27.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaene
Names & synonyms
NAPHTHO(2,1,8-UVA)PENTACENENaphtho[2,1,8-uva]pentacene196-45-2DTXSID00173263RefChem:365435DTXCID0095754naphtho(8,1,2-cde)pentaceneSCHEMBL4853313
Database identifiers
- CAS
196-45-2- PubChem CID
- 9138
- DTXSID
DTXSID00173263- Nikkaji
- J1.550.969D
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 593
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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