1,1'-((6-Chloro-1,3,5-triazine-2,4-diyl)diimino)bisanthraquinone
Basic information
- CAS
17612-57-6- Standard SMILES
O=C1c2ccccc2C(=O)c2c(Nc3nc(Cl)nc(Nc4cccc5c4C(=O)c4ccccc4C5=O)n3)cccc21- InChIKey
KHPBJIXNYDHOLY-UHFFFAOYSA-N- Molecular formula
- C31H16ClN5O4
- Average molar mass
- 557.9 g/mol
- Monoisotopic mass
- 557.0890817
Overview
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Names & identifiers
- Preferred name
- 1,1'-((6-Chloro-1,3,5-triazine-2,4-diyl)diimino)bisanthraquinone
- IUPAC
- 1-[[4-chloro-6-[(9,10-dioxoanthracen-1-yl)amino]-1,3,5-triazin-2-yl]amino]anthracene-9,10-dione
Names & synonyms
17612-57-61,1'-((6-Chloro-1,3,5-triazine-2,4-diyl)bis(azanediyl))bis(anthracene-9,10-dione)1,1'-((6-Chloro-1,3,5-triazine-2,4-diyl)diimino)bisanthraquinoneEINECS 241-588-01-[[4-chloro-6-[(9,10-dioxoanthracen-1-yl)amino]-1,3,5-triazin-2-yl]amino]anthracene-9,10-dioneDTXSID101700861,1/'-[(6-chloro-1,3,5-triazine-2,4-diyl)diimino]bisanthraquinoneSTK530836AKOS005463655NS000257901,1'-[(6-chloro-1,3,5-triazine-2,4-diyl)diimino]dianthracene-9,10-dione1,1'-[(6-Chloro-1,3,5-triazine-2,4-diyl)bis(azanediyl)]di(anthracene-9,10-dione)
Database identifiers
- CAS
17612-57-6- PubChem CID
- 87187
- DTXSID
DTXSID10170086- EC Number
- 241-588-0
- Nikkaji
- J287.089D
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 993
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Compound notes
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