(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

Base Information

• Chemical Name: (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
• CAS No.: 107888-03-9
• Molecular Formula: C44H30 N4 O4 S2
• Molecular Weight: 742.8634
• Wikidata: Q76156513
• Mol file: 107888-03-9.mol

Synonyms:(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;107888-03-9;2,3-Pyrrolidinedione, 4,4'-(1,2-ethanediylbis(imino(2-naphthalenylmethylidyne)))bis(1-phenyl-5-thioxo-;LS-137677

Chemical Property of (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

Chemical Property:

• Vapor Pressure: 3.13E-32mmHg at 25°C
• Boiling Point: 889°Cat760mmHg
• PKA: -1.13±0.20(Predicted)
• Flash Point: 491.4°C
• PSA: 163.00000
• Density: 1.48g/cm³
• LogP: 8.09300
• XLogP3: 10.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 742.17084780
• Heavy Atom Count: 54
• Complexity: 1480

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C(=O)C(=O)C(=C(C3=CC4=CC=CC=C4C=C3)NCCNC(=C5C(=O)C(=O)N(C5=S)C6=CC=CC=C6)C7=CC8=CC=CC=C8C=C7)C2=S
• Isomeric SMILES: C1=CC=C(C=C1)N2C(=S)/C(=C(/NCCN/C(=C\3/C(=S)N(C(=O)C3=O)C4=CC=CC=C4)/C5=CC6=CC=CC=C6C=C5)\C7=CC8=CC=CC=C8C=C7)/C(=O)C2=O