0YV

?

Summary

Name:2,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamine
Formula:C26 H22 Br2 N2
Formal charge:0
Molecular weight:522.274 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamine
OpenEye OEToolkits1.7.62-[3-[2-[3-[2-[3-(2-azanylethyl)-5-bromanyl-phenyl]ethynyl]phenyl]ethynyl]-5-bromanyl-phenyl]ethanamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Brc3cc(C#Cc2cccc(C#Cc1cc(cc(Br)c1)CCN)c2)cc(c3)CCN
InChIInChI1.03InChI=1S/C26H22Br2N2/c27-25-15-21(13-23(17-25)8-10-29)6-4-19-2-1-3-20(12-19)5-7-22-14-24(9-11-30)18-26(28)16-22/h1-3,12-18H,8-11,29-30H2
InChIKeyInChI1.03JSVQCKAPBSOZCB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370NCCc1cc(Br)cc(c1)C#Cc2cccc(c2)C#Cc3cc(Br)cc(CCN)c3
SMILESCACTVS3.370NCCc1cc(Br)cc(c1)C#Cc2cccc(c2)C#Cc3cc(Br)cc(CCN)c3
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(cc(c1)C#Cc2cc(cc(c2)Br)CCN)C#Cc3cc(cc(c3)Br)CCN
SMILESOpenEye OEToolkits1.7.6c1cc(cc(c1)C#Cc2cc(cc(c2)Br)CCN)C#Cc3cc(cc(c3)Br)CCN