9,10-Anthracenedione, 1,1'-((7-oxo-7H-benz(de)anthracene-3,9-diyl)diimino)bis-
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Basic information
- CAS
129-22-6- Standard SMILES
O=C1c2ccccc2C(=O)c2c(Nc3ccc4c(c3)C(=O)c3cccc5c(Nc6cccc7c6C(=O)c6ccccc6C7=O)ccc-4c35)cccc21- InChIKey
HJWRIENCONWZPB-UHFFFAOYSA-N- Molecular formula
- C45H24N2O5
- Average molar mass
- 672.7 g/mol
- Monoisotopic mass
- 672.16852187
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1,1'-((7-oxo-7H-benz(de)anthracene-3,9-diyl)diimino)bis-
- IUPAC
- 1-[[3-[(9,10-dioxoanthracen-1-yl)amino]-7-oxobenzo[a]phenalen-9-yl]amino]anthracene-9,10-dione
- English name
- 1,1'-[(7-oxo-7H-benz[de]-3,9-anthrylene)diimino]dianthraquinone
- Molecular formula
- C45H24N2O5
- Molecular weight
- 672.68246
Names & synonyms
9,10-Anthracenedione, 1,1'-((7-oxo-7H-benz(de)anthracene-3,9-diyl)diimino)bis-EINECS 204-937-8DTXSID90595959,10-Anthracenedione, 1,1'-[(7-oxo-7H-benz[de]anthracene-3,9-diyl)diimino]bis-1,1'-((7-Oxo-7H-benz(de)anthracene-3,9-diyl)dimino)bis(9,10-anthracenedione)RefChem:548514DTXCID5033919129-22-61-[[3-[(9,10-dioxoanthracen-1-yl)amino]-7-oxobenzo[a]phenalen-9-yl]amino]anthracene-9,10-dioneHJWRIENCONWZPB-UHFFFAOYSA-NSCHEMBL11288222NS00024069
Show more names
Bis[1-anthraquinonylamino]-3,9-benzanthrone1,1'-[(7-oxo-7H-benz[de]-3,9-anthrylene)diimino]dianthraquinone1,1'-[(7-oxo-7h-benz[de]anthracene-3,9-diyl)diimino]bis-10-anthracenedione1,1'-[(7-Oxo-7H-benz[de]anthracene-3,9-diyl)diimino]bis(9,10-anthracenedione)1,1'-[(7-Oxo-7H-Benz[de] anthracene-3,9-diyl)dimino]bis[9,10-anthracenedione]10-Anthracenedione, 1,1'-[(7-oxo-7H-benz[de]anthracene-3,9-diyl) diimino]bis-9
Properties
Computed structural propertiesFilling in
- XLogP
- 9.3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,470
Physicochemical properties
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1,1'-[(7-oxo-7H-benz[de]anthracene-3,9-diyl)diimino]bis- (129-22-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1,1'-[(7-oxo-7H-benz[de]anthracene-3,9-diyl)diimino]bis-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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