Basic information
- CAS
7099-43-6- Standard SMILES
c1ccc2c(c1)ccc1cc3c4c(ccc3cc12)CCC4- InChIKey
UWKBDVGBSYVECO-UHFFFAOYSA-N- Molecular formula
- C21H16
- Average molar mass
- 268.4 g/mol
- Monoisotopic mass
- 268.12520051
Overview
5,6-Cyclopenteno-1,2-benzanthracene is a member of phenanthrenes.
Names & identifiers
- Preferred name
- 5,6-Cyclopenteno-1,2-benzanthracene
- IUPAC
- pentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18,20-nonaene
- English name
- 5,6-Cyclopenteno-1,2-benzanthracene
- Molecular formula
- C21H16
- Molecular weight
- 268.35
Names & synonyms
5,6-Cyclopenteno-1,2-benzanthraceneRefChem:5279502,3-Dihydro-1H-benzo(a)cyclopent(H)anthracene7099-43-61H-Benzo(a)cyclopent(h)anthracene, 2,3-dihydro-C3PNV39K1Jpentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18,20-nonaene2,3-Dihydro-1H-benzo[a]cyclopent[h]anthracene5:6-Cyclopenteno-1:2-benzanthraceneUNII-C3PNV39K1J2,3-Dihydro-1H-benzo(a)cyclopent(b)anthraceneCHEBI:82434
Show more names
BENZO[A]CYCLOPENT[H]ANTHRACENE,2,3-DIHYDRO-1H-Cyclopenta[k]benz[a]anthracene, 2,3-dihydro-
DTXSID202212151,2-benzo-5,6-cyclopentanoanthraceneAKOS0243289202,3-Dihydro-1H-cyclopenta[k]tetrapheneNS00004265C193812,3-dihydro-1H-benzo[a]cyclopenta[h]anthraceneQ27155936
Database identifiers
- CAS
7099-43-6- PubChem CID
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 385
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 222 °C · 222°C
- Density
- 1.0691 · 1.0691 (estimate)
- refractive index
- 1.764 · 1.7640 (estimate)
- FDA UNII
- 3 PNV39K1J · C3PNV39K1J
- IARC
- 3 · 3 (Vol. 92) 2010
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Carcinogen Classification
5,6-Cyclopenteno-1,2-benzanthracene
Group 3: Not classifiable as to its carcinogenicity to humans
Volume 92: (2010) Some Non-heterocyclic Polycyclic Aromatic Hydrocarbons and Some Related Exposures
2010
2005
Chemistry & industry
Additional notes
DefinitionChEBI: 5,6-Cyclopenteno-1,2-benzanthracene is a member of phenanthrenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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