9,10-Anthracenedione, 1,4-bis((2-(2-pyridinyl)ethyl)amino)-
Basic information
- CAS
70945-51-6- Standard SMILES
O=C1c2ccccc2C(=O)c2c(NCCc3ccccn3)ccc(NCCc3ccccn3)c21- InChIKey
UZKTVLLMGQHAOJ-UHFFFAOYSA-N- Molecular formula
- C28H24N4O2
- Average molar mass
- 448.5 g/mol
- Monoisotopic mass
- 448.18992602
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1,4-bis((2-(2-pyridinyl)ethyl)amino)-
- IUPAC
- 1,4-bis(2-pyridin-2-ylethylamino)anthracene-9,10-dione
Names & synonyms
9,10-Anthracenedione, 1,4-bis((2-(2-pyridinyl)ethyl)amino)-70945-51-61,4-Bis((2-(2-pyridinyl)ethyl)amino)-9,10-anthracenedioneCHEMBL3248042DTXSID402211711,4-Bis{[2-(pyridin-2-yl)ethyl]amino}anthracene-9,10-dione
Database identifiers
- CAS
70945-51-6- PubChem CID
- 153176
- DTXSID
DTXSID40221171- ChEMBL
CHEMBL3248042- Nikkaji
- J1.179.909D
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 642
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Compound notes
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