Benzo[e]naphtho[2,3-a]pyrene
Basic information
- CAS
192-70-1- Standard SMILES
c1ccc2cc3c(cc2c1)cc1c2ccccc2c2cccc4ccc3c1c42- InChIKey
YEVOPXRNZORJGM-UHFFFAOYSA-N- Molecular formula
- C28H16
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.12520051
Names & identifiers
- Preferred name
- Benzo[e]naphtho[2,3-a]pyrene
- IUPAC
- heptacyclo[14.10.2.03,12.05,10.013,27.020,28.021,26]octacosa-1,3,5,7,9,11,13(27),14,16(28),17,19,21,23,25-tetradecaene
- English name
- Benzo[a]naphtho[8,1,2-cde]naphthacene
- Molecular formula
- C28H16
- Molecular weight
- 352.43
Names & synonyms
Benzo[a]naphtho[8,1,2-cde]naphthaceneBenzo(e)naphtho(2,3-a)pyreneBENZO(a)NAPHTHO(8,1,2-cde)NAPHTHACENEG8OBM0T9U5NSC 87527Naphto(1,2-c-d-e)naphtaceneBRN 2471319Naphto(1,2-c-d-e)naphtacene [French]NSC-87527UNII-G8OBM0T9U5Benzo[e]naphtho[2,3-a]pyreneDTXSID80172754
Show more names
Menzo[a]naphtho[8,1,2-cde]naphthacene
BENZO-1,2-(NAPHTHO-2',3')-4,5-PYRENERefChem:118232DTXCID6095245YEVOPXRNZORJGM-UHFFFAOYSA-N192-70-1heptacyclo[14.10.2.03,12.05,10.013,27.020,28.021,26]octacosa-1,3,5,7,9,11,13(27),14,16(28),17,19,21,23,25-tetradecaeneNSC87527SCHEMBL4853128
Database identifiers
- CAS
192-70-1- PubChem CID
- 9127
- DTXSID
DTXSID80172754- UNII
- G8OBM0T9U5
- Nikkaji
- J36.032E
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 593
Physicochemical properties
- Melting point
- 262.5 °C · 262.5°C
- Boiling point
- 421.04 °C · 421.04°C (rough estimate)
- Density
- 1.1919 · 1.1919 (estimate)
- refractive index
- 1.843 · 1.8430 (estimate)
- color
- Yellow needles from xylene
- FDA UNII
- 8 OBM0T9U5 · G8OBM0T9U5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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