Basic information
- CAS
203-20-3- Standard SMILES
c1ccc2c(c1)-c1cccc3cc4c(ccc5ccccc54)c-2c13- InChIKey
ZUAGUFSITPHNKC-UHFFFAOYSA-N- Molecular formula
- C24H14
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.10955045
Overview
Naphtho[2,1-a]fluoranthene is a member of phenanthrenes.
Names & identifiers
- Preferred name
- Dibenz(a,j)aceanthrylene
- IUPAC
- hexacyclo[11.10.1.02,11.05,10.017,24.018,23]tetracosa-1(24),2(11),3,5,7,9,12,14,16,18,20,22-dodecaene
- English name
- naphtho(2,1-a)fluoranthene
- Molecular formula
- C24H14
- Molecular weight
- 302.37
Names & synonyms
Naphtho(2,1-a)fluorantheneNaphtho[2,1-a]fluoranthene203-20-3DIBENZ(A,J)ACEANTHRYLENEDibenz[a,j]aceanthryleneDTXSID90174183RefChem:164712DTXCID7096674BRN 237739415,16-Benzodehydrocholanthrenenaphtho[2,1 a]fluoranthene3-05-00-02618 (Beilstein Handbook Reference)
Show more names
Indeno[1,2,3-ij]tetrapheneSCHEMBL4847646SCHEMBL30122902CHEBI:82498C19466Q27156001hexacyclo[11.10.1.02,11.05,10.017,24.018,23]tetracosa-1(24),2(11),3,5,7,9,12,14,16,18,20,22-dodecaene
Database identifiers
- CAS
203-20-3- PubChem CID
- 9145
- DTXSID
DTXSID90174183- ChEBI
CHEBI:82498- Nikkaji
- J57.934C
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 480
Physicochemical properties
- Melting point
- 181.15 °C · 181.15°C
- Boiling point
- 378.4 °C · 378.4°C (rough estimate)
- Density
- 1.1762 · 1.1762 (estimate)
- refractive index
- 1.913 · 1.9130 (estimate)
- 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
Naphtho[2,1-a]fluoranthene
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
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: Naphtho[2,1-a]fluoranthene is a member of phenanthrenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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