3,23-Dimethyl-13-phenyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
Cn1c2ccccc2c2c3c(c4c5ccccc5n(C)c4c21)C(=O)N(c1ccccc1)C3=O- InChIKey
ZBZAJZYSWLQWLY-UHFFFAOYSA-N- Molecular formula
- C28H19N3O2
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.14772686
Names & identifiers
- Preferred name
- 3,23-Dimethyl-13-phenyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
- IUPAC
- 3,23-dimethyl-13-phenyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
Names & synonyms
NSC691878CHEMBL2000168NSC-691878NCI60_032988
Database identifiers
- PubChem CID
- 392066
- ChEMBL
CHEMBL2000168- Nikkaji
- J938.853B
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 47.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 766
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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