CAS
941-81-1 Purity
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941-81-1 Purity
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(4Z)-4-[[2-Chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]-N-[2,5-dichloro-4-[[(4E)-4-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]-3-oxo-naphthalene-2-carbonyl]amino]phenyl]-3-oxo-naphthale
CAS
94188-99-5
Catalog Number
ACM94188995
Category
Other Products
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- Product Description
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- Synthetic Use
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What is the molecular formula of the compound?
The molecular formula is C42H22Cl4F6N6O4.
What is the PubChem CID of the compound?
The PubChem CID is 90477699.
When was the compound created?
The compound was created on February 16, 2015.
When was the compound last modified?
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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