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CHEBI:51393 - meso-dodecamethylcalix[6]pyrrole

ChEBI IDCHEBI:51393
ChEBI Namemeso-dodecamethylcalix[6]pyrrole
Stars
ASCII Namemeso-dodecamethylcalix[6]pyrrole
Last Modified15 January 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC42H54N6
Net Charge0
Average Mass642.936
Monoisotopic Mass642.44100
SMILESCC1(C)c2ccc(n2)C(C)(C)c2ccc(n2)C(C)(C)c2ccc(n2)C(C)(C)c2ccc(n2)C(C)(C)c2ccc(n2)C(C)(C)c2ccc1n2
InChIInChI=1S/C42H54N6/c1-37(2)25-13-15-27(43-25)38(3,4)29-17-19-31(45-29)40(7,8)33-21-23-35(47-33)42(11,12)36-24-22-34(48-36)41(9,10)32-20-18-30(46-32)39(5,6)28-16-14-26(37)44-28/h13-24,43-48H,1-12H3
InChIKeyGVMQSTYLYYBMCU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
meso-dodecamethylcalix[6]pyrrole (CHEBI:51393) has parent hydride calix[6]pyrrole (CHEBI:51391)
meso-dodecamethylcalix[6]pyrrole (CHEBI:51393) is a substituted calixpyrrole (CHEBI:51392)
IUPAC Name 
2,2,7,7,12,12,17,17,22,22,27,27-dodecamethyl-31,32,33,34,35,36-hexaazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(30),3,5,8,10,13,15,18,20,23,25,28-dodecaene
Registry NumbersSources
Beilstein:8666688Beilstein