CID 5489106
PubChem CID
5489106
Structure
Molecular Formula
Synonyms
- Zinc tetra(4-N-methylpyridyl)porphine
- 40603-58-5
- zinc;5,10,15-tris(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)porphyrin-22-ide
- [ZnII(TMPyP)]4+
- Zinc-tetramethylpyridiumylporphyrin
Molecular Weight
742.2 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Parent Compound
Component Compounds
Dates
- Create:2005-08-01
- Modify:2024-12-28
See also: zinc tetra(4-N-methylpyridyl)porphine (preferred).
Chemical Structure Depiction
Conformer generation is disallowed since too many atoms, MMFF94s unsupported element, mixture or salt
zinc;5,10,15-tris(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)porphyrin-22-ide
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C44H36N8.Zn/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
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
YNJPEFIZCXXDIS-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CN1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C=C4)C9=CC=[N+](C=C9)C)C=C3)C=C1.[Zn+2]
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C44H36N8Zn+4
Computed by PubChem 2.2 (PubChem release 2021.10.14)
40603-58-5
- mesotetra(4-N-methylpyridyl)porphine Zn
- tetra(4-N-methylpyridyl)porphine zinc
- zinc tetra(4-N-methylpyridyl)porphine
- zinc(II) tetrakis(4-N-methylpyridyl)porphine
- Zn-TMPyP
- ZnT4MPyP
- ZNTMPYP
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
742.2 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
740.235435 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
740.235435 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
53Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
53
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
4
Reference
Computed by PubChem
Property Name
Complexity
Property Value
1500
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
zinc tetra(4-N-methylpyridyl)porphine (preferred)
PubMed Count
- ChemIDplusZinc tetra(4-N-methylpyridyl)porphinehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0040603585ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxZinc tetra(4-N-methylpyridyl)porphinehttps://comptox.epa.gov/dashboard/DTXSID30193611CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- WikidataZinc tetra(4-N-methylpyridyl)porphinehttps://www.wikidata.org/wiki/Q83066364
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlzinc tetra(4-N-methylpyridyl)porphinehttps://www.ncbi.nlm.nih.gov/mesh/67060088
CONTENTS