Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Iron (II) meso-tetra(alpha,alpha,alpha,alpha-o-pivalamidophenyl)porphyrin
RN: 52629-13-7
InChIKey: XXLDFDYKIOQXLD-YUTFXDKVSA-L

Molecular Weight

  • 1065.11
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Iron (II) meso-tetra(alpha,alpha,alpha,alpha-o-pivalamidophenyl)porphyrin

Synonyms

  • Fe(II) Picket-fence porphyrin
  • Fe(II)Tpp

Systematic Name

  • Iron, ((N,N',N'',N'''-(21H,23H-porphine-5,10,15,20-tetrayltetra-2,1-phenylene)tetrakis(2,2-dimethylpropanamidato))(2-)-N21,N22,N23,N24)-, (SP-4-1)-

Registry Numbers

CAS Registry Number

  • 52629-13-7

System Generated Number

  • 0052629137

Structure Descriptors

InChI

1S/C64H66N8O4.Fe/c1-61(2,3)57(73)69-41-25-17-13-21-37(41)53-45-29-31-47(65-45)54(38-22-14-18-26-42(38)70-58(74)62(4,5)6)49-33-35-51(67-49)56(40-24-16-20-28-44(40)72-60(76)64(10,11)12)52-36-34-50(68-52)55(48-32-30-46(53)66-48)39-23-15-19-27-43(39)71-59(75)63(7,8)9;/h13-36H,1-12H3,(H6,65,66,67,68,69,70,71,72,73,74,75,76);/q;+2/p-2/b53-45-,53-46-,54-47-,54-49-,55-48-,55-50-,56-51-,56-52-;

InChIKey

XXLDFDYKIOQXLD-YUTFXDKVSA-L

Smiles

c1(c2ccccc2NC(C(C)(C)C)=O)c2ccc([n-]2)c(c2C=Cc(n2)c(c2c(cccc2)NC(C(C)(C)C)=O)c2[n-]c(c(c3C=Cc1n3)c1ccccc1NC(C(C)(C)C)=O)cc2)c1ccccc1NC(C(C)(C)C)=O.[Fe+2]