11-(anthraquinon-1-ylamino)anthra(2,1,9-mna)naphth(2,3-h)acridine-5,10,15(16H)-trione
Basic information
- CAS
72138-96-6- Standard SMILES
O=C1c2ccccc2C(=O)c2c(Nc3cccc4c3C(=O)c3ccc5c([nH]c6ccc7c8ccccc8c(=O)c8ccc5c6c87)c3C4=O)cccc21- InChIKey
WNMWNEGWYZNORK-UHFFFAOYSA-N- Molecular formula
- C45H22N2O5
- Average molar mass
- 670.7 g/mol
- Monoisotopic mass
- 670.15287181
Names & identifiers
- Preferred name
- 11-(anthraquinon-1-ylamino)anthra(2,1,9-mna)naphth(2,3-h)acridine-5,10,15(16H)-trione
- IUPAC
- 8-[(9,10-dioxoanthracen-1-yl)amino]-16-azaoctacyclo[18.10.2.02,15.05,14.07,12.017,31.021,26.028,32]dotriaconta-1(31),2(15),3,5(14),7(12),8,10,17,19,21,23,25,28(32),29-tetradecaene-6,13,27-trione
- English name
- 11-(anthraquinon-1-ylamino)anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trione
- Molecular formula
- C45H22N2O5
- Molecular weight
- 670.66658
Names & synonyms
EINECS 276-361-5Anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trione, 11-[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-DTXSID007251211-(ANTHRAQUINON-1-YLAMINO)ANTHRA[2,1,9-MNA]NAPHTH[2,3-H]ACRIDINE-5,10,15(16H)-TRIONEAnthra(2,1,9-mna)naphth(2,3-h)acridine-5,10,15(16H)-trione, 11-((9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-11-(Anthraquinon-1-ylamino)anthra(2,1,9-mna)naphth(2,3-h)acridine-5,10,15(16H)-trioneRefChem:437195DTXCID6047234276-361-572138-96-611-((9,10-dioxo-9,10-dihydroanthracen-1-yl)amino)anthra[2,1,9-mna]naphtho[2,3-h]acridine-5,10,15(16H)-trione11-[(9,10-Dioxo-9,10-dihydroanthracen-1-yl)amino]anthra[2,1,9-mna]naphtho[2,3-h]acridine-5,10,15(16H)-trione
Show more names
11-[[(9,10-Dihydro-9,10-dioxoanthracen)-1-yl]amino]anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trioneAnthra[2,1,9-mna]naphth[2, 3-h]acridine-5,10,15(16H)-trione, 11-[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,540
Physicochemical properties
- EPA Substance Registry System
- 2 · Anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trione, 11-[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]- (72138-96-6)
- 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (9 of 9) of all reports.
Not Classified
Aggregated GHS information provided per 9 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAnthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trione, 11-[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…