Basic information
- CAS
63021-33-0- Standard SMILES
CCc1cccc2ccc3nc4c(ccc5ccccc54)cc3c12- InChIKey
YDFBWNJTGADQNU-UHFFFAOYSA-N- Molecular formula
- C23H17N
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.13609955
Names & identifiers
- Preferred name
- DIBENZ(a,h)ACRIDINE, 1-ETHYL-
- IUPAC
- 16-ethyl-2-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
- English name
- 1-Ethyldibenz[a,h]acridine
- Molecular formula
- C23H17N
- Molecular weight
- 307.39
Names & synonyms
DIBENZ(a,h)ACRIDINE, 1-ETHYL-63021-33-01-Ethyldibenz[a,h]acridine1'-Ethyl-1,2,5,6-dibenzacridine [French]1'-Ethyl-1,2,5,6-dibenzacridine1-ethyldibenzo[a,h]acridineDTXSID40212302DB-312170Dibenz[a,h]acridine, 1-ethyl-
Database identifiers
- CAS
63021-33-0- PubChem CID
- 44320
- DTXSID
DTXSID40212302- Nikkaji
- J57.932G
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 445
Physicochemical properties
- Boiling point
- 437.89 °C · 437.89°C (rough estimate)
- Density
- 1.0941 · 1.0941 (rough estimate)
- refractive index
- 1.85 · 1.8500 (estimate)
- pka
- 4.91 · 4.91±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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