EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:51597 - superphthalocyanine

ChEBI IDCHEBI:51597
ChEBI Namesuperphthalocyanine
Stars
DefinitionA cyclic pentapyrrole derivative that consists of five isoindole-type units, with the connecting carbon atoms replaced by nitrogen. The parent of the class of superphthalocyanines.
Last Modified14 November 2011
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC40H22N10
Net Charge0
Average Mass642.686
Monoisotopic Mass642.20289
SMILESc1ccc2c(c1)-c1nc-2nc2nc(nc3nc(nc4nc(nc5nc(n1)c1ccccc15)-c1ccccc1-4)c1ccccc31)-c1ccccc1-2
InChIInChI=1S/C40H22N10/c1-2-12-22-21(11-1)31-41-32(22)47-34-25-15-5-6-16-26(25)36(43-34)49-38-29-19-9-10-20-30(29)40(45-38)50-39-28-18-8-7-17-27(28)37(44-39)48-35-24-14-4-3-13-23(24)33(42-35)46-31/h1-20H,(H2,41,42,43,44,45,46,47,48,49,50)
InChIKeyRZZZFXPOFKWSOB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
superphthalocyanine (CHEBI:51597) is a superphthalocyanines (CHEBI:51604)
IUPAC Name 
(2Z,11Z,19Z,28Z,38Z)-2,11,20,29,38,46,47,48,49,50-decaazaundecacyclo[37.6.1.13,10.112,19.121,28.130,37.04,9.013,18.022,27.031,36.040,45]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21(48),22,24,26,28,30,32,34,36,38,40,42,44-tetracosaene
Synonym  Source
42H-2,4,6,8,10-pentaaza-1,3,5,7,9(1,3)-pentaisoindolacyclodecaphane-1,3,5,8,10-pentaeneChEBI
Registry NumbersSources
Reaxys:1203290Reaxys