Anthra(1,9-cd)pyrazol-6(2H)-one, 9-chloro-2-(2-(1-methylethyl)-7-oxo-7H-benz(de)anthracen-3-yl)-
Basic information
- CAS
61900-99-0- Standard SMILES
CC(C)c1cc2c3c(cccc3c1-n1nc3c4c(cccc41)C(=O)c1ccc(Cl)cc1-3)C(=O)c1ccccc1-2- InChIKey
HQYKQKYCFCRGGW-UHFFFAOYSA-N- Molecular formula
- C34H21ClN2O2
- Average molar mass
- 525 g/mol
- Monoisotopic mass
- 524.1291556
Names & identifiers
- Preferred name
- Anthra(1,9-cd)pyrazol-6(2H)-one, 9-chloro-2-(2-(1-methylethyl)-7-oxo-7H-benz(de)anthracen-3-yl)-
- IUPAC
- 4-chloro-14-(7-oxo-2-propan-2-ylbenzo[a]phenalen-3-yl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one
- English name
- 9-chloro-2-[2-isopropyl-7-oxo-7H-benz[de]-3-anthryl]anthra[1,9-cd]pyrazol-6(2H)-one
- Molecular formula
- C34H21ClN2O2
- Molecular weight
- 525
Names & synonyms
EINECS 263-310-7Anthra(1,9-cd)pyrazol-6(2H)-one, 9-chloro-2-(2-(1-methylethyl)-7-oxo-7H-benz(de)anthracen-3-yl)-Anthra[1,9-cd]pyrazol-6(2H)-one, 9-chloro-2-[2-(1-methylethyl)-7-oxo-7H-benz[de]anthracen-3-yl]-DTXSID7069524RefChem:558178DTXCID004318761900-99-0EN7FTY487XHQYKQKYCFCRGGW-UHFFFAOYSA-N9-Chloro-2-[2-(1-methylethyl)-7-oxo-7H-benz[de]anthracen-3-yl]anthra[1,9-cd]pyrazol-6(2H)-oneNS000212539-Chloro-2-(2-isopropyl-7-oxo-7H-benz(de)-3-anthryl)anthra(1,9-cd)pyrazol-6(2H)-one
Show more names
PubChem ID: 1127749-chloro-2-[2-isopropyl-7-oxo-7H-benz[de]-3-anthryl]anthra[1,9-cd]pyrazol-6(2H)-one
9-Chloro-2-[7-oxo-2-(propan-2-yl)-7H-benzo[de]anthracen-3-yl]dibenzo[cd,g]indazol-6(2H)-one
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,000
Physicochemical properties
- EPA Substance Registry System
- 1 · Anthra[1,9-cd]pyrazol-6(2H)-one, 9-chloro-2-[2-(1-methylethyl)-7-oxo-7H-benz[de]anthracen-3-yl]- (61900-99-0)
- 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 InformationAnthra[1,9-cd]pyrazol-6(2H)-one, 9-chloro-2-[2-(1-methylethyl)-7-oxo-7H-benz[de]anthracen-3-yl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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