Pentanediamide, 3-(9-acridinylamino)-N,N'-bis(2-(9-acridinylamino)ethyl)-
Basic information
- CAS
98512-16-4- Standard SMILES
O=C(CC(CC(=O)NCCNc1c2ccccc2nc2ccccc12)Nc1c2ccccc2nc2ccccc12)NCCNc1c2ccccc2nc2ccccc12- InChIKey
USYWRDNOWIGUML-UHFFFAOYSA-N- Molecular formula
- C48H42N8O2
- Average molar mass
- 762.9 g/mol
- Monoisotopic mass
- 762.34307261
Names & identifiers
- Preferred name
- Pentanediamide, 3-(9-acridinylamino)-N,N'-bis(2-(9-acridinylamino)ethyl)-
- IUPAC
- 3-(acridin-9-ylamino)-N,N'-bis[2-(acridin-9-ylamino)ethyl]pentanediamide
Names & synonyms
Pentanediamide, 3-(9-acridinylamino)-N,N'-bis(2-(9-acridinylamino)ethyl)-98512-16-4CHEMBL1187909DTXSID302436003-(9-Acridinylamino)-N,N'-bis(2-(9-acridinylamino)ethyl)pentanediamide3-[(Acridin-9-yl)amino]-N~1~,N~5~-bis{2-[(acridin-9-yl)amino]ethyl}pentanediamide
Database identifiers
- CAS
98512-16-4- PubChem CID
- 150494
- DTXSID
DTXSID30243600- ChEMBL
CHEMBL1187909
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,200
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Compound notes
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