9,10-Anthracenedione, 2,2'-[1,4-phenylenebis(1,3,4-oxadiazole-5,2-diyl)]bis[1-amino-
Basic information
- CAS
52671-38-2- Standard SMILES
Nc1c(-c2nnc(-c3ccc(-c4nnc(-c5ccc6c(c5N)C(=O)c5ccccc5C6=O)o4)cc3)o2)ccc2c1C(=O)c1ccccc1C2=O- InChIKey
KURKYSBFMTWTAP-UHFFFAOYSA-N- Molecular formula
- C38H20N6O6
- Average molar mass
- 656.6 g/mol
- Monoisotopic mass
- 656.14443238
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 2,2'-[1,4-phenylenebis(1,3,4-oxadiazole-5,2-diyl)]bis[1-amino-
- IUPAC
- 1-amino-2-[5-[4-[5-(1-amino-9,10-dioxoanthracen-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]anthracene-9,10-dione
Names & synonyms
EINECS 258-090-42,2'-(p-Phenylenebis(1,3,4-oxadiazole-5,2-diyl))bis(1-aminoanthraquinone)9,10-Anthracenedione, 2,2'-[1,4-phenylenebis(1,3,4-oxadiazole-5,2-diyl)]bis[1-amino-DTXSID00687812,2'-[1,4-phenylenebis(1,3,4-oxadiazole-5,2-diyl)]bis[1-aminoanthraquinone]9,10-Anthracenedione, 2,2'-(1,4-phenylenebis(1,3,4-oxadiazole-5,2-diyl))bis(1-amino-2,2'-(1,4-Phenylenebis(1,3,4-oxadiazole-5,2-diyl))bis(1-aminoanthraquinone)RefChem:548708DTXCID2041252258-090-452671-38-2KURKYSBFMTWTAP-UHFFFAOYSA-N
Show more names
NS000325512,2'-[1,4-Phenylenedi(1,3,4-oxadiazole-5,2-diyl)]bis(1-aminoanthracene-9,10-dione)
Database identifiers
- CAS
52671-38-2- PubChem CID
- 104283
- DTXSID
DTXSID0068781- EC Number
- 258-090-4
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 198 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,260
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (15 of 15) of all reports.
Not Classified
Aggregated GHS information provided per 15 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationHazard Traits - Bioaccumulation; Environmental Persistence
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 2,2'-[1,4-phenylenebis(1,3,4-oxadiazole-5,2-diyl)]bis[1-amino-: ACTIVE
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Related reactions
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Compound notes
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