2,3-Pyrrolidinedione, 4,4'-(1,2-ethanediylbis(imino(2-naphthalenylmethylidyne)))bis(1-phenyl-5-thioxo-
Basic information
- CAS
107888-03-9- Standard SMILES
O=C1C(=O)N(c2ccccc2)C(=S)/C1=C(/NCCN/C(=C1\C(=O)C(=O)N(c2ccccc2)C1=S)c1ccc2ccccc2c1)c1ccc2ccccc2c1- InChIKey
LZMMRFUTACBHRI-UHFFFAOYSA-N- Molecular formula
- C44H30N4O4S2
- Average molar mass
- 742.9 g/mol
- Monoisotopic mass
- 742.1708478
Names & identifiers
- Preferred name
- 2,3-Pyrrolidinedione, 4,4'-(1,2-ethanediylbis(imino(2-naphthalenylmethylidyne)))bis(1-phenyl-5-thioxo-
- IUPAC
- (4E)-4-[[2-[[(E)-(4,5-dioxo-1-phenyl-2-sulfanylidenepyrrolidin-3-ylidene)-naphthalen-2-ylmethyl]amino]ethylamino]-naphthalen-2-ylmethylidene]-1-phenyl-5-sulfanylidenepyrrolidine-2,3-dione
- English name
- (4E)-4-[[2-[[(E)-(4,5-dioxo-1-phenyl-2-sulfanylidene-pyrrolidin-3-ylid ene)-naphthalen-2-yl-methyl]amino]ethylamino]-naphthalen-2-yl-methylid ene]-1-phenyl-5-sulfanylidene-pyrrolidine-2,3-dione
- Molecular formula
- C44H30N4O4S2
- Molecular weight
- 742.86
Names & synonyms
107888-03-92,3-Pyrrolidinedione, 4,4'-(1,2-ethanediylbis(imino(2-naphthalenylmethylidyne)))bis(1-phenyl-5-thioxo-RefChem:1059519(4E)-4-[[2-[[(E)-(4,5-dioxo-1-phenyl-2-sulfanylidenepyrrolidin-3-ylidene)-naphthalen-2-ylmethyl]amino]ethylamino]-naphthalen-2-ylmethylidene]-1-phenyl-5-sulfanylidenepyrrolidine-2,3-dione2,3-Pyrrolidinedione, 4,4'-[1,2-ethanediylbis[imino(2-naphthalenylmethylidyne)]]bis[1-phenyl-5-thioxo- (9CI)(4E)-4-[[2-[[(E)-(4,5-dioxo-1-phenyl-2-sulfanylidene-pyrrolidin-3-ylid ene)-naphthalen-2-yl-methyl]amino]ethylamino]-naphthalen-2-yl-methylid ene]-1-phenyl-5-sulfanylidene-pyrrolidine-2,3-dione
Database identifiers
- CAS
107888-03-9- PubChem CID
- 3065403
Properties
Computed structural properties
- XLogP
- 10.1
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,480
Physicochemical properties
- Boiling point
- 889 · 889.0±75.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- -1.13 · -1.13±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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