pigment orange 31 structure

pigment orange 31

(4E)-N-[2-chloro-4-[3-chloro-4-[[(4Z)-4-[(2-chlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]phenyl]phenyl]-4-[(2-chlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxamide

Also Known As: pigment orange 31|C.I. Pigment Orange 31|EINECS 226-105-3|2-Naphthalenecarboxamide, N,N'-(3,3'-dichloro[1,1'- biphenyl]-4,4'-diyl)bis[4-[(2-chlorophenyl)azo]-3 -hydroxy-|2-Naphthalenecarboxamide, N,N'-(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis[4-[(2-chlorophenyl)azo]-3-hydroxy-|(4Z)-N-[2-chloro-4-[3-chloro-4-[[(4E)-4-[(2-chlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]phenyl]phenyl]-4-[(2-chlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxamide|(4Z)-N-[2-chloro-4-[3-chloro-4-[[(4E)-4-[(2-chlorophenyl)hydrazono]-3-oxo-naphthalene-2-carbonyl]amino]phenyl]phenyl]-4-[(2-chlorophenyl)hydrazono]-3-oxo-naphthalene-2-carboxamide|2-Naphthalenecarboxamide, N,N'-(3,3'-dichloro(1,1'-biphenyl)-4,4'-diyl)bis(4-((2-chlorophenyl)azo)-3-hydroxy-|2-Naphthalenecarboxamide, N,N'-(3,3'-dichloro(1,1'-biphenyl)-4,4'-diyl)bis(4-(2-(2-chlorophenyl)diazenyl)-3-hydroxy-|4',4'''-Bi-2-naphthanilide, 2',2'''-dichloro-4,4''-bis[(o-chlorophenyl)azo]-3,3''-dihydroxy-|N,N'-(3,3'-Dichloro[1,1'-biphenyl]-4,4'-diyl)bis[4-[(2-chlorophenyl)azo]-3-hydroxynaphthalene-2-carboxamide]

CAS: 5280-74-0
Molecular Formula C46H28Cl4N6O4
Molecular Weight 868.0926 g/mol
LogP 10.8092
Topological Polar Surface Area 141.12 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
Rotatable Bonds 9
Exact Mass 868.0926
Monoisotopic Mass 870.08966
Heavy Atoms 60
Complexity 2726.116

Chemical Identifiers

CAS Number 5280-74-0
SMILES C1=CC=C\2C(=C1)C=C(C(=O)/C2=N/NC3=CC=CC=C3Cl)C(=O)NC4=C(C=C(C=C4)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7/C(=N/NC8=CC=CC=C8Cl)/C6=O)Cl)Cl

Product Overview

pigment orange 31 (CAS 5280-74-0), with molecular formula C46H28Cl4N6O4 and molecular weight 868.0926 g/mol. IUPAC: (4E)-N-[2-chloro-4-[3-chloro-4-[[(4Z)-4-[(2-chlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]phenyl]phenyl]-4-[(2-chlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxamide.

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