5,12,19,26-Tetraazoniaheptacyclo(24.2.2.22,5.27,10.212,15.216,19.221,24)tetraconta-2,4,7,9,12,14,16,18,21,23,26,28,29,31,33,35,37,39-octadecaene
Basic information
- CAS
117271-76-8- Standard SMILES
c1cc2ccc1C[n+]1ccc(cc1)-c1cc[n+](cc1)Cc1ccc(cc1)C[n+]1ccc(cc1)-c1cc[n+](cc1)C2- InChIKey
URORLZXVTFVIPS-UHFFFAOYSA-N- Molecular formula
- C36H32N4+4
- Average molar mass
- 520.7 g/mol
- Monoisotopic mass
- 520.26269704
Names & identifiers
- Preferred name
- 5,12,19,26-Tetraazoniaheptacyclo(24.2.2.22,5.27,10.212,15.216,19.221,24)tetraconta-2,4,7,9,12,14,16,18,21,23,26,28,29,31,33,35,37,39-octadecaene
- IUPAC
- 5,12,19,26-tetrazoniaheptacyclo[24.2.2.22,5.27,10.212,15.216,19.221,24]tetraconta-1(29),2(40),3,5(39),7,9,12,14,16(34),17,19(33),21(32),22,24(31),26(30),27,35,37-octadecaene
Names & synonyms
117271-76-8RefChem:10720915,12,19,26-Tetraazoniaheptacyclo(24.2.2.22,5.27,10.212,15.216,19.221,24)tetraconta-2,4,7,9,12,14,16,18,21,23,26,28,29,31,33,35,37,39-octadecaeneCyclobis(paraquat-p-phenylene)SCHEMBL9999524CHEMBL5499095DTXSID101032304Q18411248
Database identifiers
- CAS
117271-76-8- PubChem CID
- 4457151
- DTXSID
DTXSID101032304- ChEMBL
CHEMBL5499095- Nikkaji
- J995.055I
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 15.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 40
- Formal charge
- 4
- Complexity
- 611
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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