Chem
J-GLOBAL ID:200907049630132508   Nikkaji number:J1.451.434A

[(21H,23H-Porphyrin-5,10,15,20-tetryl)tetrakis(1,4-phenylenemethylene)]tetrakis(phosphonic acid diammonium) salt

[(21H,23H-ポルフィリン-5,10,15,20-テトライル)テトラキス(1,4-フェニレンメチレン)]テトラキス(ホスホン酸ジアンモニウム)
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C48H66N4[N+]8O12P4
Molecular formula furigana: C48-H66-N12-O12-P4
Molecular weight: 1127.019
InChI: InChI=1S/C48H34N12O12P4/c49-65-73(61,66-50)25-29-1-9-33(10-2-29)45-37-17-19-39(57-37)46(34-11-3-30(4-12-34)26-74(62,67-51)68-52)41-21-23-43(59-41)48(36-15-7-32(8-16-36)28-76(64,71-55)72-56)44-24-22-42(60-44)47(40-20-18-38(45)58-40)35-13-5-31(6-14-35)27-75(63,69-53)70-54/h1-24,57,60H,25-28H2/q+8/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-
InChI key: SJTZWWJKYRSPGP-PJEPRTEXSA-N
SMILES: [N+]OP(=O)(Cc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(CP(=O)(O[N+])O[N+])cc1)[nH]4)/c1ccc(CP(=O)(O[N+])O[N+])cc1)/C=C3)\c1ccc(CP(=O)(O[N+])O[N+])cc1)/[nH]2)O[N+]
Systematic name  (3):
  • [(21H,23H-ポルフィリン-5,10,15,20-テトライル)テトラキス(1,4-フェニレンメチレン)]テトラキス(ホスホン酸ジアンモニウム)
  • ジアザニウミル ({4-[7,12,17-トリス(4-{[ビス(アザニウミルオキシ)ホスホリル]メチル}フェニル)-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル]フェニル}メチル)ホスホナート
  • diazaniumyl ({4-[7,12,17-tris(4-{[bis(azaniumyloxy)phosphoryl]methyl}phenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]phenyl}methyl)phosphonate
Other name (1):
  • [(21H,23H-Porphyrin-5,10,15,20-tetryl)tetrakis(1,4-phenylenemethylene)]tetrakis(phosphonic acid diammonium) salt
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