Basic information
- CAS
5779-79-3- Standard SMILES
c1ccc2cc3c(cc4c5c(cccc53)CC4)cc2c1- InChIKey
PMNATJJZOUNELG-UHFFFAOYSA-N- Molecular formula
- C20H14
- Average molar mass
- 254.3 g/mol
- Monoisotopic mass
- 254.10955045
Names & identifiers
- Preferred name
- 3,4'-Ace-1,2-benzanthracene
- IUPAC
- pentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,16(20),17-nonaene
- English name
- 4,5-Dihydro-benz(k)acephenanthrylene
- Molecular formula
- C20H14
- Molecular weight
- 254.33
Names & synonyms
AcenaphthanthraceneBenz(k)acephenanthrene3,4'-Ace-1,2-benzanthracene3:4-Dimethylene-1:2-benzanthracene5779-79-3Benz(k)acephenanthrylene, 4,5-dihydro-BRN 3274312UNII-DEW3G130KUDEW3G130KU4,5-DIHYDROBENZ(K)ACEPHENANTHRYLENEDTXSID402064834-05-00-02638 (Beilstein Handbook Reference)
Show more names
4,5-Dihydro-benz(k)acephenanthryleneBENZ(K)ACEPHENANTHRYLENE,4,5-DIHYDRO-Cyclopenta[de]benz[a]anthracene, 4,5-dihydro-
3,4-DIMETHYLENE-1,2-BENZANTHRACENECYCLOPENTA(DE)BENZ(A)ANTHRACENE, 4,5-DIHYDRO-RefChem:90844DTXCID40128974Acenaphthanthracen4,5-dihydrocyclopenta[de]tetrapheneQ27276354
Database identifiers
- CAS
5779-79-3- PubChem CID
- 22014
- DTXSID
DTXSID40206483- UNII
- DEW3G130KU
- Nikkaji
- J35.252G
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 372
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Physicochemical properties
- Melting point
- 192 · 192-193 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 332.54 °C · 332.54°C (rough estimate)
- Density
- 1.118 · 1.1180 (estimate)
- refractive index
- 1.704 · 1.7040 (estimate)
- Water Solubility
- 2.7 ug/L · 2.7ug/L(27 ºC)
- FDA UNII
- 3 G130KU · DEW3G130KU
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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