EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:49805 - [5,10,15,20-tetrakis(1-methylpyridinium-4-yl)porphyrinato]copper(II)

Default Structure
ChEBI IDCHEBI:49805
ChEBI Name[5,10,15,20-tetrakis(1-methylpyridinium-4-yl)porphyrinato]copper(II)
Stars
Secondary ChEBI IDsCHEBI:37446, CHEBI:49803
Last Modified16 May 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC44H36CuN8
Net Charge+4
Average Mass740.374
Monoisotopic Mass739.23370
SMILESC[n+]1ccc(C2=C3C=CC4=[N]3[Cu]35[N]6=C(C=CC6=C(c6cc[n+](C)cc6)c6ccc2[n]63)C(c2cc[n+](C)cc2)=c2ccc([n]25)=C4c2cc[n+](C)cc2)cc1
InChIInChI=1S/C44H36N8.Cu/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;/h5-28H,1-4H3;/q2*+2
InChIKeyIWBZPROSINYBFE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
[5,10,15,20-tetrakis(1-methylpyridinium-4-yl)porphyrinato]copper(II) (CHEBI:49805) is a copper coordination entity (CHEBI:37403)
IUPAC Names 
[5,10,15,20-tetrakis(1-methylpyridinium-4-yl)porphyrinato]copper(4+)
[5,10,15,20-tetrakis(1-methylpyridinium-4-yl)porphyrinato]copper(II)
Synonyms  Source
copper(II) meso-tetra(N-methyl-4-pyridyl)porphyrinChEBI
CU(II)MESO(4-N-TETRAMETHYLPYRIDYL)PORPHYRINPDBeChem
CuTMPyP4ChEBI
Manual XrefsDatabases
PCUPDBeChem
Registry NumbersSources
Gmelin:1108878Gmelin