9X1

1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium}


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Chemical Component Summary

Name1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium}
SynonymsTCD-717
Identifiers~{N}-(4-chlorophenyl)-1-[[4-[4-[[4-[(4-chlorophenyl)-methyl-amino]quinolin-1-ium-1-yl]methyl]phenyl]phenyl]methyl]-~{N}-methyl-quinolin-1-ium-4-amine
FormulaC46 H38 Cl2 N4
Molecular Weight717.727
TypeNON-POLYMER
Isomeric SMILESCN(c1ccc(cc1)Cl)c2cc[n+](c3c2cccc3)Cc4ccc(cc4)c5ccc(cc5)C[n+]6ccc(c7c6cccc7)N(C)c8ccc(cc8)Cl
InChIInChI=1S/C46H38Cl2N4/c1-49(39-23-19-37(47)20-24-39)43-27-29-51(45-9-5-3-7-41(43)45)31-33-11-15-35(16-12-33)36-17-13-34(14-18-36)32-52-30-28-44(42-8-4-6-10-46(42)52)50(2)40-25-21-38(48)22-26-40/h3-30H,31-32H2,1-2H3/q+2
InChIKeyQGYGTMZEJNOHNU-UHFFFAOYSA-N

Chemical Details

Formal Charge2
Atom Count90
Chiral Atom Count0
Bond Count97
Aromatic Bond Count46

Related Resource References

Resource NameReference
PubChem 11239949
ChEMBL CHEMBL1181829