The compound was last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is (4E)-4-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]-N-[2,5-dichloro-4-[[(4E)-4-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]phenyl]-3-oxonaphthalene-2-carboxamide.
What is the InChI of the compound?
The InChI is InChI=1S/C42H22Cl4F6N6O4/c43-27-11-9-21(41(47,48)49)15-33(27)55-57-35-23-7-3-1-5-19(23)13-25(37(35)59)39(61)53-31-17-30(46)32(18-29(31)45)54-40(62)26-14-20-6-2-4-8-24(20)36(38(26)60)58-56-34-16-22(42(50,51)52)10-12-28(34)44/h1-18,55-56H,(H,53,61)(H,54,62)/b57-35+,58-36+.
What is the InChIKey of the compound?
The InChIKey is FXXSGZBPAJRJHH-MZFXFGFDSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is C1=CC=C2C(=C1)C=C(C(=O)C2=NNC3=C(C=CC(=C3)C(F)(F)F)Cl)C(=O)NC4=CC(=C(C=C4Cl)NC(=O)C5=CC6=CC=CC=C6C(=NNC7=C(C=CC(=C7)C(F)(F)F)Cl)C5=O)Cl.
What is the molecular weight of the compound?
The molecular weight is 930.5 g/mol.
How many hydrogen bond donor and acceptor counts does the compound have?
The compound has 4 hydrogen bond donor counts and 14 hydrogen bond acceptor counts.
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