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Substance Name: 4,19-Dioxo-N,N'-bis(4-(10,15,20-tris(4-methylphenyl)-21H,23H-porphin-5-ylphenyl)-5,9,14,18-tetraazadocosanediamide iron complex
RN: 87097-68-5
InChIKey: PYQGTAHFLBZWHJ-MAQYRZTOSA-H

Molecular Formula

  • C112-H100-Fe2-N14-O4.2Cl

Molecular Weight

  • 1888.71
 
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Names and Synonyms

Results Name

  • 4,19-Dioxo-N,N'-bis(4-(10,15,20-tris(4-methylphenyl)-21H,23H-porphin-5-ylphenyl)-5,9,14,18-tetraazadocosanediamide iron complex

Synonyms

  • (mu-(4,19-Dioxo-N,N'-bis(4-(10,15,20-tris(4-methylphenyl)-21H,23H-porphin-5-yl)phenyl)-5,9,14,18-tetraazadocosanediamidato(4-)-N21,N22,N23,N24:N21',N22',N23',N24'))diiron(2+) dichloride
  • 4,19-Dioxo-N,N'-bis(4-(10,15,20-tris(4-methylphenyl)-21H,23H-porphin-5-ylphenyl)-5,9,14,18-tetraazadocosanediamide iron complex

Systematic Name

  • Iron(2+), (mu-(4,19-dioxo-N,N'-bis(4-(10,15,20-tris(4-methylphenyl)-21H,23H-porphin-5-yl)phenyl)-5,9,14,18-tetraazadocosanediamidato(4-)-N21,N22,N23,N24:N21',N22',N23',N24'))di-, dichloride

Registry Numbers

CAS Registry Number

  • 87097-68-5

System Generated Number

  • 0087097685

Molecular Formulas

Molecular Formula

  • C112-H100-Fe2-N14-O4.2Cl

Molecular Formula Fragments

  • C112-H100-Fe2-N14-O4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C112H104N14O4.2ClH.2Fe/c1-69-11-23-75(24-12-69)105-85-43-47-89(119-85)107(77-27-15-71(3)16-28-77)93-51-55-97(123-93)111(98-56-52-94(124-98)108(90-48-44-86(105)120-90)78-29-17-72(4)18-30-78)81-35-39-83(40-36-81)117-103(129)61-59-101(127)115-67-9-65-113-63-7-8-64-114-66-10-68-116-102(128)60-62-104(130)118-84-41-37-82(38-42-84)112-99-57-53-95(125-99)109(79-31-19-73(5)20-32-79)91-49-45-87(121-91)106(76-25-13-70(2)14-26-76)88-46-50-92(122-88)110(96-54-58-100(112)126-96)80-33-21-74(6)22-34-80;;;;/h11-58,113-114H,7-10,59-68H2,1-6H3,(H8,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130);2*1H;;/q;;;2*+3/p-6/b105-85-,105-86-,106-87-,106-88-,107-89-,107-93-,108-90-,108-94-,109-91-,109-95-,110-92-,110-96-,111-97-,111-98-,112-99-,112-100-;;;;

InChIKey

PYQGTAHFLBZWHJ-MAQYRZTOSA-H

Smiles

[ClH-].[Fe+3].[Fe+3].[n-]1c2c(c3nc(C=C3)c(c3ccc(cc3)C)c3ccc(c(c4ccc(NC(=O)CCC(NCCCNCCCCNCCCNC(CCC(Nc5ccc(cc5)c5c6ccc([n-]6)c(c6C=Cc(n6)c(c6[n-]c(c(c7C=Cc5n7)c5ccc(cc5)C)cc6)c5ccc(cc5)C)c5ccc(cc5)C)=O)=O)=O)cc4)c4nc(C=C4)c(c4ccc(cc4)C)c1cc2)[n-]3)c1ccc(cc1)C.[ClH-]