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2-(5-Chloro-2-methoxyphenyl)-N-(4-(((4-((9,10-dihydro-9,10-dioxo-1-anthryl)azo)-3-hydroxy-2-naphthyl)carbonyl)amino)phenyl)-2,3-dihydro-1,3-dioxo-1H-isoindole-5-carboxamide

HCID 3020554
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Basic information

CAS
85223-07-0
Standard SMILES
COc1ccc(Cl)cc1N1C(=O)c2ccc(C(=O)Nc3ccc(NC(=O)c4cc5ccccc5c(N=Nc5cccc6c5C(=O)c5ccccc5C6=O)c4O)cc3)cc2C1=O
InChIKey
PJACWBCCSMRVGN-UHFFFAOYSA-N
Molecular formula
C47H28ClN5O8
Average molar mass
826.2 g/mol
Monoisotopic mass
825.1626406

Names & identifiers

Preferred name
2-(5-Chloro-2-methoxyphenyl)-N-(4-(((4-((9,10-dihydro-9,10-dioxo-1-anthryl)azo)-3-hydroxy-2-naphthyl)carbonyl)amino)phenyl)-2,3-dihydro-1,3-dioxo-1H-isoindole-5-carboxamide
IUPAC
2-(5-chloro-2-methoxyphenyl)-N-[4-[[4-[(9,10-dioxoanthracen-1-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-1,3-dioxoisoindole-5-carboxamide
English name
2-(5-chloro-2-methoxyphenyl)-N-[4-[[[4-[(9,10-dihydro-9,10-dioxo-1-anthryl)azo]-3-hydroxy-2-naphthyl]carbonyl]amino]phenyl]-2,3-dihydro-1,3-dioxo-1H-isoindole-5-carboxamide
Molecular formula
C47H28ClN5O8
Molecular weight
826.21

Names & synonyms

85223-07-0EINECS 286-360-12-(5-Chloro-2-methoxyphenyl)-N-(4-(((4-((9,10-dihydro-9,10-dioxo-1-anthryl)azo)-3-hydroxy-2-naphthyl)carbonyl)amino)phenyl)-2,3-dihydro-1,3-dioxo-1H-isoindole-5-carboxamidePJACWBCCSMRVGN-UHFFFAOYSA-NDTXSID001098636NS000656582-(5-Chloro-2-methoxyphenyl)-N-[4-[[[4-[2-(9,10-dihydro-9,10-dioxo-1-anthracenyl)diazenyl]-3-hydroxy-2-naphthalenyl]carbonyl]amino]phenyl]-2,3-dihydro-1,3-dioxo-1H-isoindole-5-carboxamide2-(5-chloro-2-methoxyphenyl)-N-[4-[[[4-[(9,10-dihydro-9,10-dioxo-1-anthryl)azo]-3-hydroxy-2-naphthyl]carbonyl]amino]phenyl]-2,3-dihydro-1,3-dioxo-1H-isoindole-5-carboxamide2-(5-Chloro-2-methoxyphenyl)-N-[4-[[[4-[[(9,10-dihydro-9,10-dioxoanthracen)-1-yl]azo]3-hydroxy-2-naphthalenyl]carbonyl]amino]phenyl]-2,3-dihydro-1,3-dioxo-1H-isoindole-5-carboxamide1H-Isoindole-5-carboxamide, 2-(5-chloro-2-methoxyphenyl)-N-[4-[[[4-[2-(9,10-dihydro-9,10-dioxo-1-anthracenyl)diazenyl]-3-hydroxy-2-naphthalenyl]carbonyl]amino]phenyl]-2,3-dihydro-1,3-dioxo-

Database identifiers

CAS
85223-07-0
PubChem CID
3020554
DTXSID
DTXSID001098636
EC Number
286-360-1
Nikkaji
J333.841J

Properties

Computed structural properties

XLogP
8.9
Topological polar surface area
184 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
10
Rotatable bonds
8
Heavy atoms
61
Formal charge
0
Complexity
1,740

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