Basic information
- CAS
117-03-3- Standard SMILES
O=C1c2ccccc2C(=O)c2c(Nc3cccc4c3C(=O)c3cccc(Nc5cccc6c5C(=O)c5ccccc5C6=O)c3C4=O)cccc21- InChIKey
DGJRQADQCOOLLL-UHFFFAOYSA-N- Molecular formula
- C42H22N2O6
- Average molar mass
- 650.6 g/mol
- Monoisotopic mass
- 650.14778643
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1,5-bis[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-
- IUPAC
- 1,5-bis[(9,10-dioxoanthracen-1-yl)amino]anthracene-9,10-dione
- English name
- 1,5-bis[(9,10-dihydro-9,10-dioxo-1-anthryl)amino]anthraquinone
- Molecular formula
- C42H22N2O6
- Molecular weight
- 650.63
Names & synonyms
9,10-Anthracenedione, 1,5-bis[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-DTXSID60594439,10-Anthracenedione, 1,5-bis((9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-RefChem:548575DTXCID5033389117-03-31,5-Trianthrimid [Czech]1,5-TrianthrimidBRN 2932200EINECS 204-167-21,5-bis[(9,10-dioxoanthracen-1-yl)amino]anthracene-9,10-dioneDGJRQADQCOOLLL-UHFFFAOYSA-N
Show more names
1,5-Bis(1-anthraquinonylamino)anthraquinone1,5-bis[(9,10-dihydro-9,10-dioxo-1-anthryl)amino]anthraquinone1,1'-[9,10-Dihydro-9,10-dioxoanthracene-1,5-diylbis(imino)]bis(9,10-anthraquinone)
1,1'-(Anthraquinon-1,5-ylenediimino)dianthraquinone1,5-Bis-1'-anthrachinonylamino-anthrachinon [Czech]1,5-Bis-1'-anthrachinonylamino-anthrachinonSCHEMBL113066871,5-Bis((9,10-dihydro-9,10-dioxo-1-anthryl)amino)anthraquinoneANTHRAQUINONE, 1,1'-(ANTHRAQUINON-1,5-YLENEDIIMINO)DI-NS000237711,1'-[(9,10-Dioxo-9,10-dihydroanthracene-1,5-diyl)bis(azanediyl)]di(anthracene-9,10-dione)
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,330
Physicochemical properties
- Boiling point
- 677.71 °C · 677.71°C (rough estimate)
- Density
- 1.2598 · 1.2598 (rough estimate)
- refractive index
- 1.467 · 1.4670 (estimate)
- pka
- -4.97 · -4.97±0.20(Predicted)
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1,5-bis[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]- (117-03-3)
- TSCA
- TSCA listed
- Toxicity
- 500 mg/24H · eye-rbt 500 mg/24H SEV 28ZPAK -,128,72
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
- Toxicity
- eye-rbt 500 mg/24H SEV 28ZPAK -,128,72
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1,5-bis[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-: INACTIVE
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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