Benzamide, N-[9,10-dihydro-5,8-bis[(4-methylphenyl)amino]-9,10-dioxo-1-anthracenyl]-4-nitro-
Basic information
- CAS
39923-22-3- Standard SMILES
Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c2C3=O)cc1- InChIKey
TWDBXXGBCZTVQG-UHFFFAOYSA-N- Molecular formula
- C35H26N4O5
- Average molar mass
- 582.6 g/mol
- Monoisotopic mass
- 582.19031994
Names & identifiers
- Preferred name
- Benzamide, N-[9,10-dihydro-5,8-bis[(4-methylphenyl)amino]-9,10-dioxo-1-anthracenyl]-4-nitro-
- IUPAC
- N-[5,8-bis(4-methylanilino)-9,10-dioxoanthracen-1-yl]-4-nitrobenzamide
- English name
- N-[5,8-bis[(4-methylphenyl)amino]-9,10-dioxo-anthracen-1-yl]-4-nitro-benzamide
- Molecular formula
- C35H26N4O5
- Molecular weight
- 582.6
Names & synonyms
Benzamide, N-(9,10-dihydro-5,8-bis((4-methylphenyl)amino)-9,10-dioxo-1-anthracenyl)-4-nitro-DTXSID8068206Benzamide, N-[9,10-dihydro-5,8-bis[(4-methylphenyl)amino]-9,10-dioxo-1-anthracenyl]-4-nitro-RefChem:561600DTXCID503969239923-22-3TWDBXXGBCZTVQG-UHFFFAOYSA-NN-[5,8-Bis(4-methylanilino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]-4-nitrobenzamideN-[5,8-bis[(4-methylphenyl)amino]-9,10-dioxo-anthracen-1-yl]-4-nitro-benzamideN-[[9,10-Dihydro-5,8-bis[(4-methylphenyl)amino]-9,10-dioxoanthracen]-1-yl]-4-nitrobenzamide
Database identifiers
- CAS
39923-22-3- PubChem CID
- 5748628
- DTXSID
DTXSID8068206- Nikkaji
- J422.412D
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,050
Physicochemical properties
- Boiling point
- 761.9 · 761.9±60.0 °C(Predicted)
- Density
- 1.405 · 1.405±0.06 g/cm3(Predicted)
- pka
- 10.9 · 10.90±0.20(Predicted)
- EPA Substance Registry System
- 9 · Benzamide, N-[9,10-dihydro-5,8-bis[(4-methylphenyl)amino]-9,10-dioxo-1-anthracenyl]-4-nitro- (39923-22-3)
- 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 InformationBenzamide, N-[9,10-dihydro-5,8-bis[(4-methylphenyl)amino]-9,10-dioxo-1-anthracenyl]-4-nitro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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