Basic information
- CAS
239-98-5- Standard SMILES
c1ccc2cc3cc4cc5c(ccc6ccccc65)cc4cc3cc2c1- InChIKey
PLKNNIMJRPBOSW-UHFFFAOYSA-N- Molecular formula
- C26H16
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.12520051
Names & identifiers
- Preferred name
- Benzo(a)pentacene
- IUPAC
- hexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene
- English name
- Benzo[a]pentacene
- Molecular formula
- C26H16
- Molecular weight
- 328.41
Names & synonyms
Benzo[a]pentaceneBenzo(a)pentacene239-98-5IsohexapheneEINECS 205-951-7DTXSID50178602RefChem:118159DTXCID70101093205-951-7PLKNNIMJRPBOSW-UHFFFAOYSA-Nhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaeneSCHEMBL1799999
Show more names
Benzo[a]pentacene (in vial for quick-preparation of solution)
SCHEMBL30839396DB-220167NS00041798
Database identifiers
- CAS
239-98-5- PubChem CID
- 67482
- DTXSID
DTXSID50178602- EC Number
- 205-951-7
- Nikkaji
- J193.686G
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 508
Physicochemical properties
- Boiling point
- 604.1 · 604.1±22.0 °C(Predicted)
- Density
- 1.263 · 1.263±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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