Pentanediamide, 3-(9-acridinylamino)-N,N'-bis(5-(9-acridinylamino)pentyl)-
Basic information
- CAS
98502-88-6- Standard SMILES
O=C(CC(CC(=O)NCCCCCNc1c2ccccc2nc2ccccc12)Nc1c2ccccc2nc2ccccc12)NCCCCCNc1c2ccccc2nc2ccccc12- InChIKey
UPZMEQKXBUBPTC-UHFFFAOYSA-N- Molecular formula
- C54H54N8O2
- Average molar mass
- 847.1 g/mol
- Monoisotopic mass
- 846.436973
Names & identifiers
- Preferred name
- Pentanediamide, 3-(9-acridinylamino)-N,N'-bis(5-(9-acridinylamino)pentyl)-
- IUPAC
- 3-(acridin-9-ylamino)-N,N'-bis[5-(acridin-9-ylamino)pentyl]pentanediamide
Names & synonyms
Pentanediamide, 3-(9-acridinylamino)-N,N'-bis(5-(9-acridinylamino)pentyl)-98502-88-63-(9-Acridinylamino)-N,N'-bis(5-(9-acridinylamino)pentyl)pentanediamideCHEMBL1194080DTXSID002435963-[(Acridin-9-yl)amino]-N~1~,N~5~-bis{5-[(acridin-9-yl)amino]pentyl}pentanediamide
Database identifiers
- CAS
98502-88-6- PubChem CID
- 150491
- DTXSID
DTXSID00243596- ChEMBL
CHEMBL1194080
Properties
Computed structural properties
- XLogP
- 11.3
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 20
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,290
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Compound notes
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