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CHEBI:51587 - subphthalocyanine

ChEBI IDCHEBI:51587
ChEBI Namesubphthalocyanine
Stars
DefinitionA cyclic tripyrrole derivative that consists of three isoindole-type units, with the connecting carbon atoms replaced by nitrogen. The parent of the class of subphthalocyanines.
Last Modified11 November 2011
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC24H14N6
Net Charge0
Average Mass386.418
Monoisotopic Mass386.12799
SMILESc1ccc2c(c1)-c1nc-2nc2nc(nc3nc(n1)c1ccccc13)c1ccccc21
InChIInChI=1S/C24H14N6/c1-2-8-14-13(7-1)19-25-20(14)29-22-17-11-5-6-12-18(17)24(27-22)30-23-16-10-4-3-9-15(16)21(26-23)28-19/h1-12H,(H2,25,26,27,28,29,30)
InChIKeyPMJMHCXAGMRGBZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
subphthalocyanine (CHEBI:51587) is a subphthalocyanines (CHEBI:51589)
subphthalocyanine (CHEBI:51587) is conjugate acid of subphthalocyaninate(2−) (CHEBI:51591)
Incoming Relation(s)
subphthalocyaninate(2−) (CHEBI:51591) is conjugate base of subphthalocyanine (CHEBI:51587)
IUPAC Name 
(2Z,10Z,20Z)-2,11,20,28,29,30-hexaazaheptacyclo[19.6.1.13,10.112,19.04,9.013,18.022,27]triaconta-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene