Basic information
- CAS
41940-35-6- Standard SMILES
O=C1CCCCc2nn(c3ccccc23)C(=O)CCCCc2nn1c1ccccc21- InChIKey
ZSWHHIJYFLRORE-UHFFFAOYSA-N- Molecular formula
- C24H24N4O2
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.18992602
Names & identifiers
- Preferred name
- 1,14,27,28-Tetrazapentacyclo[18.6.1.17,14.08,13.021,26]octacosa-7(28),8,10,12,20(27),21,23,25-octaene-2,15-dione
- IUPAC
- 1,14,27,28-tetrazapentacyclo[18.6.1.17,14.08,13.021,26]octacosa-7(28),8,10,12,20(27),21,23,25-octaene-2,15-dione
Names & synonyms
NSC17477041940-35-6DTXSID00306251NSC-1747701(1,3),7(3,1)-Diindazolacyclododecaphane-2,8-dione
Database identifiers
- CAS
41940-35-6- PubChem CID
- 300397
- DTXSID
DTXSID00306251
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 69.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 587
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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