Basic information
- CAS
53460-09-6- Standard SMILES
O=C1c2ccccc2C(=O)c2c(Nc3nc(Nc4cccc5c4C(=O)c4ccccc4C5=O)nc(-c4ccncc4)n3)cccc21- InChIKey
MSQOPYJFCWPXGX-UHFFFAOYSA-N- Molecular formula
- C36H20N6O4
- Average molar mass
- 600.6 g/mol
- Monoisotopic mass
- 600.15460314
Names & identifiers
- Preferred name
- 1,1'-((6-(Pyridin-4-yl)-1,3,5-triazine-2,4-diyl)diimino)bisanthraquinone
- IUPAC
- 1-[[4-[(9,10-dioxoanthracen-1-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]amino]anthracene-9,10-dione
Names & synonyms
53460-09-61,1'-((6-(Pyridin-4-yl)-1,3,5-triazine-2,4-diyl)diimino)bisanthraquinoneEINECS 258-568-2DTXSID50201626NS000327651,1'-{[6-(Pyridin-4-yl)-1,3,5-triazine-2,4-diyl]bis(azanediyl)}di(anthracene-9,10-dione)
Database identifiers
- CAS
53460-09-6- PubChem CID
- 104504
- DTXSID
DTXSID50201626- EC Number
- 258-568-2
- Nikkaji
- J295.962C
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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