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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Application:
Iron(III) meso-tetraphenylporphine-µ-oxo dimer used as catalyst.
| Canonical Smiles | C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.O.[Fe+2].[Fe+2] |
|---|---|
| IUPAC Name | iron(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide;hydrate |
| InChIKey | JTFKJCUSDKAMIA-UHFFFAOYSA-N |
| INCHI | 1S/2C44H28N4.2Fe.H2O/c2*1-5-13-29(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;;;/h2*1-28H;;;1H2/q2*-2;2*+2; |
| Isomeric SMILES | C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.O.[Fe+2].[Fe+2] |
| PubChem CID | 11981848 |
| Molecular Weight | 1353.16 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Tetrapyrroles and derivatives |
| Subclass | Metallotetrapyrroles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Metalloporphyrins |
| Alternative Parents | Porphyrins Benzene and substituted derivatives Pyrroles Heteroaromatic compounds Organic transition metal salts Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Not available |
| Substituents | Metalloporphyrin - Porphyrin - Monocyclic benzene moiety - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Organic transition metal salt - Organic nitrogen compound - Organic salt - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as metalloporphyrins. These are polycyclic compounds containing a porphyrin moiety and a metal atom. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | May 12, 2025 | M302307 | |
| Certificate of Analysis | May 12, 2025 | M302307 | |
| Certificate of Analysis | May 12, 2025 | M302307 | |
| Certificate of Analysis | May 12, 2025 | M302307 | |
| Certificate of Analysis | May 12, 2025 | M302307 |
| Molecular Weight | 1355.100 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 1354.34 Da |
| Monoisotopic Mass | 1354.34 Da |
| Topological Polar Surface Area | 54.400 Ų |
| Heavy Atom Count | 99 |
| Formal Charge | 0 |
| Complexity | 2910.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 5 |