Basic information
- CAS
98502-86-4- Standard SMILES
O=C(CC(CC(=O)NCCCNc1c2ccccc2nc2ccccc12)Nc1c2ccccc2nc2ccccc12)NCCCNc1c2ccccc2nc2ccccc12- InChIKey
JAKFPATYEZVVDV-UHFFFAOYSA-N- Molecular formula
- C50H46N8O2
- Average molar mass
- 791 g/mol
- Monoisotopic mass
- 790.37437274
Names & identifiers
- Preferred name
- Pentanediamide, 3-(9-acridinylamino)-N,N'-bis(3-(9-acridinylamino)propyl)-
- IUPAC
- 3-(acridin-9-ylamino)-N,N'-bis[3-(acridin-9-ylamino)propyl]pentanediamide
Names & synonyms
Pentanediamide, 3-(9-acridinylamino)-N,N'-bis(3-(9-acridinylamino)propyl)-98502-86-43-(9-Acridinylamino)-N,N'-bis(3-(9-acridinylamino)propyl)pentanediamideCHEMBL1193276DTXSID802435943-[(Acridin-9-yl)amino]-N~1~,N~5~-bis{3-[(acridin-9-yl)amino]propyl}pentanediamide
Database identifiers
- CAS
98502-86-4- PubChem CID
- 150489
- DTXSID
DTXSID80243594- ChEMBL
CHEMBL1193276
Properties
Computed structural properties
- XLogP
- 11
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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