Basic information
- CAS
98502-84-2- Standard SMILES
O=C(CCCC(=O)NCCCCCCNc1c2ccccc2nc2ccccc12)NCCCCCCNc1c2ccccc2nc2ccccc12- InChIKey
XSGVJIDHKKPEFP-UHFFFAOYSA-N- Molecular formula
- C43H50N6O2
- Average molar mass
- 682.9 g/mol
- Monoisotopic mass
- 682.39952486
Names & identifiers
- Preferred name
- N,N'-Bis(6-(9-acridinylamino)hexyl)pentanediamide
- IUPAC
- N,N'-bis[6-(acridin-9-ylamino)hexyl]pentanediamide
Names & synonyms
98502-84-2N,N'-Bis(6-(9-acridinylamino)hexyl)pentanediamideCHEMBL1195615DTXSID40913241Pentanediamide, N,N'-bis(6-(9-acridinylamino)hexyl)-N~1~,N~5~-Bis{6-[(acridin-9(10H)-ylidene)amino]hexyl}pentanediimidic acid
Database identifiers
- CAS
98502-84-2- PubChem CID
- 150487
- DTXSID
DTXSID40913241- ChEMBL
CHEMBL1195615
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 20
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 904
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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