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Biological Magnetic Resonance Data Bank


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5,10,15,20-Tetraphenyl-21H,23H-porphine Zinc

5,10,15,20-Tetraphenyl-21H,23H-porphine Zinc synonyms

5,10,15,20-Tetraphenyl-21H,23H-porphine zinc

Wikipedia:

Graphical representations:

5,10,15,20-Tetraphenyl-21H,23H-porphine zinc image

View large 3D structure

Molecular Formula: C44H28N4Zn

Natural Isotopic Abundance Mass: 678.099919999999

Mono-Isotopic Molecular Masses:

  • C12N14: 676.160538916001
  • C13N14: 720.308151788
  • C12N15: 680.148678488001
  • C13N15: 724.29629136

InChI String: InChI=1S/C44H28N4.Zn/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-;

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   3580039
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773