化学式

CAS号

IUPAC Name

16-叔-丁基-41-氯-2,15,28,41,53,54,55,56-octazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3(56),4,6,8,10,12,14,17,19,21,23,25,27(55),28,30,32,34,36,38,40(54),42(53),43,45,47,49,51-heptacosaen 16-tert-butyl-41-chloro-2,15,28,41,53,54,55,56-octazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3(56),4,6,8,10,12,14,17,19,21,23,25,27(55),28,30,32,34,36,38,40(54),42(53),43,45,47,49,51-heptacosaene

InChI

InChI=1S/C52H33ClN8/c1-51(2,3)52-43-27-35-19-11-10-18-34(35)26-42(43)48(60-52)56-46-39-23-31-15-7-9-17-33(31)25-41(39)50(58-46)61(53)49-40-24-32-16-8-6-14-30(32)22-38(40)45(57-49)54-44-36-20-28-12-4-5-13-29(28)21-37(36)47(55-44)59-52/h4-27H,1-3H3

InChI Key

ZCRMBBJNZLIFOS-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)C12C3=CC4=CC=CC=C4C=C3C(=N1)N=C5C6=CC7=CC=CC=C7C=C6C(=N5)N(C8=NC(=NC9=NC(=N2)C1=CC2=CC=CC=C2C=C19)C1=CC2=CC=CC=C2C=C18)Cl

别名