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Substance Name: Iron(1+), (7,12-diethenyl-3,8,13,17-tetramethyl-N,N'-bis(3-((6-methyldipyrido(1,2-a:3',2'-d)imidazol-2-yl)amino)propyl)-21H,23H-porphine-2,18-dipropanamidato(2-)-N21,N22,N23,N24)-, chloride, (SP-4-2)-
RN: 87088-15-1
InChIKey: UBSACMLFSMKUHL-PUELAXKYSA-K

Molecular Formula

  • C62-H62-Fe-N14-O2.Cl

Molecular Weight

  • 1126.57
 
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Names and Synonyms

Synonym

  • (SP-4-2)-(7,12-Diethenyl-3,8,13,17-tetramethyl-N,N'-bis(3-((6-methyldipyrido(1,2-a:3',2'-d)imidazol-2-yl)amino)propyl)-21H,23H-porphine-2,18-dipropanamidato(2-)-N21,N22,N23,N24)iron(1+) chloride

Systematic Name

  • Iron(1+), (7,12-diethenyl-3,8,13,17-tetramethyl-N,N'-bis(3-((6-methyldipyrido(1,2-a:3',2'-d)imidazol-2-yl)amino)propyl)-21H,23H-porphine-2,18-dipropanamidato(2-)-N21,N22,N23,N24)-, chloride, (SP-4-2)-

Registry Numbers

CAS Registry Number

  • 87088-15-1

System Generated Number

  • 0087088151

Molecular Formulas

Molecular Formula

  • C62-H62-Fe-N14-O2.Cl

Molecular Formula Fragments

  • C62-H62-Fe-N14-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C62H64N14O2.ClH.Fe/c1-9-41-37(5)47-31-48-39(7)43(17-23-57(77)65-27-13-25-63-55-21-19-45-61(73-55)75-29-11-15-35(3)59(75)71-45)53(69-48)34-54-44(40(8)50(70-54)33-52-42(10-2)38(6)49(68-52)32-51(41)67-47)18-24-58(78)66-28-14-26-64-56-22-20-46-62(74-56)76-30-12-16-36(4)60(76)72-46;;/h9-12,15-16,19-22,29-34H,1-2,13-14,17-18,23-28H2,3-8H3,(H6,63,64,65,66,67,68,69,70,73,74,77,78);1H;/q;;+3/p-3/b47-31-,48-31-,49-32-,50-33-,51-32-,52-33-,53-34-,54-34-;;

InChIKey

UBSACMLFSMKUHL-PUELAXKYSA-K

Smiles

c1(c(c2[n-]c1cc1nc(cc3[n-]c(cc4nc(c2)C(C=C)=C4C)c(c3C)C=C)C(=C1CCC(NCCCNc1nc2c(cc1)nc1n2cccc1C)=O)C)C)CCC(=O)NCCCNc1nc2c(cc1)nc1c(cccn21)C.[ClH-].[Fe+3]