Basic information
- CAS
83949-88-6- Standard SMILES
O=C1c2ccccc2C(=O)c2c(Nc3nc(Nc4cc5c(=O)c6cc(Br)ccc6[nH]c5c5c4C(=O)c4ccccc4C5=O)nc(Oc4ccccc4)n3)cccc21- InChIKey
JYGHYEDIMXDFGX-UHFFFAOYSA-N- Molecular formula
- C44H23BrN6O6
- Average molar mass
- 811.6 g/mol
- Monoisotopic mass
- 810.08625
Names & identifiers
- Preferred name
- 10-Bromo-6-((4-((9,10-dihydro-9,10-dioxoanthryl)amino)-6-phenoxy-1,3,5-triazin-2-yl)amino)naphth(2,3-c)acridine-5,8,14(13H)-trione
- IUPAC
- 10-bromo-6-[[4-[(9,10-dioxoanthracen-1-yl)amino]-6-phenoxy-1,3,5-triazin-2-yl]amino]-13H-naphtho[2,3-c]acridine-5,8,14-trione
Names & synonyms
EINECS 281-444-410-Bromo-6-((4-((9,10-dihydro-9,10-dioxoanthryl)amino)-6-phenoxy-1,3,5-triazin-2-yl)amino)naphth(2,3-c)acridine-5,8,14(13H)-trioneNS00060167
Database identifiers
- CAS
83949-88-6- PubChem CID
- 44145366
- Nikkaji
- J296.286A
Properties
Computed structural properties
- XLogP
- 10.3
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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