Basic information
- CAS
98502-83-1- Standard SMILES
O=C(CCCC(=O)NCCCCCNc1c2ccccc2nc2ccccc12)NCCCCCNc1c2ccccc2nc2ccccc12- InChIKey
NHUXZMYRHJMTSD-UHFFFAOYSA-N- Molecular formula
- C41H46N6O2
- Average molar mass
- 654.8 g/mol
- Monoisotopic mass
- 654.36822473
Names & identifiers
- Preferred name
- N,N'-Bis(5-(9-acridinylamino)pentyl)pentanediamide
- IUPAC
- N,N'-bis[5-(acridin-9-ylamino)pentyl]pentanediamide
Names & synonyms
98502-83-1N,N'-Bis(5-(9-acridinylamino)pentyl)pentanediamideCHEMBL1192265DTXSID00913242Pentanediamide, N,N'-bis(5-(9-acridinylamino)pentyl)-N~1~,N~5~-Bis{5-[(acridin-9(10H)-ylidene)amino]pentyl}pentanediimidic acid
Database identifiers
- CAS
98502-83-1- PubChem CID
- 150486
- DTXSID
DTXSID00913242- ChEMBL
CHEMBL1192265
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 18
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 875
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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