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CHEBI:176789 - iron tetraphenylporphyrin

Default Structure
ChEBI IDCHEBI:176789
ChEBI Nameiron tetraphenylporphyrin
Stars
Last Modified14 July 2021
DownloadsMolfile
FormulaC44H28FeN4
Net Charge0
Average Mass668.581
Monoisotopic Mass668.16633
SMILESC1=CC2=[N]3C1=C(c1ccccc1)c1ccc4[n]1[Fe]31[N]3=C(C=CC3=C4c3ccccc3)C(c3ccccc3)=c3ccc([n]31)=C2c1ccccc1
InChIInChI=1S/C44H28N4.Fe/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
InChIKeyZWYCMWUUWAFXIA-DAJBKUBHSA-N
ChEBI Ontology
Outgoing Relation(s)
iron tetraphenylporphyrin (CHEBI:176789) is a organic molecular entity (CHEBI:50860)
Registry NumbersSources
CAS:16591-56-3ChemIDplus
CAS:16591-56-3NIST Chemistry WebBook
Citations