1H-Cyclopent(j)aceanthrylene, 2,7,8,9-tetrahydro-
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Basic information
- CAS
7129-91-1- Standard SMILES
c1cc2c3c(c4ccc5c(c4cc3c1)CCC5)CC2- InChIKey
UDLWLEYTFPJTFL-UHFFFAOYSA-N- Molecular formula
- C19H16
- Average molar mass
- 244.3 g/mol
- Monoisotopic mass
- 244.12520051
Names & identifiers
- Preferred name
- 1H-Cyclopent(j)aceanthrylene, 2,7,8,9-tetrahydro-
- IUPAC
- pentacyclo[10.6.1.02,10.05,9.016,19]nonadeca-1(19),2(10),3,5(9),11,13,15-heptaene
- English name
- 2,7,8,9-Tetrahydro-1H-cyclopent[j]aceanthrylene
- Molecular formula
- C19H16
- Molecular weight
- 244.33
Names & synonyms
1H-Cyclopent(j)aceanthrylene, 2,7,8,9-tetrahydro-7129-91-18KJ0Y3U4GQ2,7,8,9-Tetrahydro-1H-cyclopent(j)aceanthryleneBRN 31348371,2-Cyclopenteno-5-10-aceanthreneUNII-8KJ0Y3U4GQ3-05-00-02328 (Beilstein Handbook Reference)DTXSID602214511,2-CYCLOPENTENO-5,10-ACEANTHRENE2,7,8,9-Tetrahydro-1H-cyclopenta[j]aceanthryleneQ27270674
Show more names
2,7,8,9-Tetrahydro-1H-cyclopent[j]aceanthrylene1H-Cyclopent[j]aceanthrylene, 2,7,8,9-tetrahydro- (8CI)
Database identifiers
- CAS
7129-91-1- PubChem CID
- 201928
- DTXSID
DTXSID60221451- UNII
- 8KJ0Y3U4GQ
- Nikkaji
- J34.900C
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Boiling point
- 322.25 °C · 322.25°C (rough estimate)
- Density
- 1.0925 · 1.0925 (estimate)
- refractive index
- 1.475 · 1.4750 (estimate)
- FDA UNII
- 8 KJ0Y3U4GQ · 8KJ0Y3U4GQ
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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