Basic information
- CAS
227-04-3- Standard SMILES
c1ccc2c(c1)ccc1cc3cc4c(ccc5ccccc54)cc3cc12- InChIKey
KKWNFCVLJZXKCD-UHFFFAOYSA-N- Molecular formula
- C26H16
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.12520051
Names & identifiers
- Preferred name
- Dibenzo(a,j)naphthacene
- IUPAC
- hexacyclo[12.12.0.03,12.04,9.016,25.017,22]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene
- English name
- Dibenzo[a,j]tetracene
- Molecular formula
- C26H16
- Molecular weight
- 328.41
Names & synonyms
Dibenzo[a,j]naphthacene227-04-3DIBENZO(A,J)NAPHTHACENEMML5D3EP3KUNII-MML5D3EP3KDTXSID80177224RefChem:132810DTXCID7099715dibenzo[a,j]tetracenehexacyclo[12.12.0.03,12.04,9.016,25.017,22]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaeneSCHEMBL988961Phenanthro-(3',2',2,3)-phenanthren
Show more names
DB-243383
Database identifiers
- CAS
227-04-3- PubChem CID
- 9186
- DTXSID
DTXSID80177224- UNII
- MML5D3EP3K
- Nikkaji
- J79.526G
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 462
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Physicochemical properties
- FDA UNII
- 5 D3EP3K · MML5D3EP3K
Chemistry & industry
Suppliers3 total
坛墨质检科技股份有限公司4008-099-669 · [email protected]
CHIRON[email protected]
上海甄准生物科技有限公司15800340161 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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