Benz(def)indeno(1,2,3-qr)chrysene
heptacyclo[20.3.1.02,7.08,25.011,24.014,23.016,21]hexacosa-1(26),2,4,6,8(25),9,11(24),12,14,16,18,20,22-tridecaene
Also Known As: Benz(def)indeno(1,2,3-qr)chrysene|benz[def]indeno[1,2,3qr]chrysene|fluoreno[3,2,1,9-pqra]tetraphene|C26-H14
CAS: 111189-34-5
| Molecular Formula | C26H14 |
|---|---|
| Molecular Weight | 326.10956 g/mol |
| LogP | 7.6 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 326.10956 |
| Monoisotopic Mass | 326.10956 |
| Heavy Atoms | 26 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 111189-34-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3C=CC4=C5C3=C2C=C6C5=C(C=C4)C7=CC=CC=C76 |
| InChIKey | FSUPSEJFXMSVMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Surfactants & Detergents (1 patents)
Product Overview
Benz(def)indeno(1,2,3-qr)chrysene (CAS 111189-34-5), with molecular formula C26H14 and molecular weight 326.10956 g/mol. IUPAC: heptacyclo[20.3.1.02,7.08,25.011,24.014,23.016,21]hexacosa-1(26),2,4,6,8(25),9,11(24),12,14,16,18,20,22-tridecaene.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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