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Substance Name: Bis(pyridine)(tetraphenylporphinato)iron(II)
RN: 16999-25-0
InChIKey: ZZLKTTGLJXQTIE-NBICUONBSA-N

Molecular Formula

  • C54-H38-Fe-N6

Molecular Weight

  • 826.7812
 
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Names and Synonyms

Name of Substance

  • Bis(pyridine)(tetraphenylporphinato)iron(II)

Synonym

  • Py-Tetraph-Fe

Systematic Name

  • Iron, bis(pyridine)(5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-N21,N22,N23,N24)-, (OC-6-12)-

Registry Numbers

CAS Registry Number

  • 16999-25-0

System Generated Number

  • 0016999250

Structure Descriptors

InChI

1S/C44H28N4.2C5H5N.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;2*1-2-4-6-5-3-1;/h1-28H;2*1-5H;/q-2;;;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;;

InChIKey

ZZLKTTGLJXQTIE-NBICUONBSA-N

Smiles

c1ccc(cc1)/c/2c\3/nc(/c(c/4\[n-]/c(c(\c5n/c(c(\c6[n-]c2cc6)/c7ccccc7)/C=C5)/c8ccccc8)/cc4)/c9ccccc9)C=C3.c1ccncc1.c1ccncc1.[Fe+2]