Chem
J-GLOBAL ID:200907050063085925   Nikkaji number:J1.871.027G

5,15,20-Tris(1-methylpyridinium-4-yl)-10-[4-[3-(tritylamino)propoxy]phenyl]-21H,23H-porphyrin

5,15,20-トリス(1-メチルピリジニウム-4-イル)-10-[4-[3-(トリチルアミノ)プロポキシ]フェニル]-21H,23H-ポルフィリン
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: C66H57N5[N+]3O
Molecular formula furigana: C66-H57-N8-O
Molecular weight: 978.235
InChI: InChI=1S/C66H56N8O/c1-72-39-32-47(33-40-72)63-56-26-24-54(68-56)62(46-20-22-53(23-21-46)75-45-13-38-67-66(50-14-7-4-8-15-50,51-16-9-5-10-17-51)52-18-11-6-12-19-52)55-25-27-57(69-55)64(48-34-41-73(2)42-35-48)59-29-31-61(71-59)65(60-30-28-58(63)70-60)49-36-43-74(3)44-37-49/h4-12,14-37,39-44,67H,13,38,45H2,1-3H3,(H,68,69,70,71)/q+2/p+1/b62-54-,62-55-,63-56-,63-58-,64-57-,64-59-,65-60-,65-61-
InChI key: MUOXQTZJJFXSMB-UUERFBDCSA-O
SMILES: C[n+]1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(OCCCNC(c5ccccc5)(c5ccccc5)c5ccccc5)cc1)[nH]4)/c1cc[n+](C)cc1)/C=C3)\c1cc[n+](C)cc1)/[nH]2
Systematic name  (3):
  • 5,15,20-トリス(1-メチルピリジニウム-4-イル)-10-[4-[3-(トリチルアミノ)プロポキシ]フェニル]-21H,23H-ポルフィリン
  • 4-[12,17-ビス(1-メチルピリジン-1-イウム-4-イル)-7-(4-{3-[(トリフェニルメチル)アミノ]プロポキシ}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]-1-メチルピリジン-1-イウム
  • 4-[12,17-bis(1-methylpyridin-1-ium-4-yl)-7-(4-{3-[(triphenylmethyl)amino]propoxy}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]-1-methylpyridin-1-ium
Other name (1):
  • 5,15,20-Tris(1-methylpyridinium-4-yl)-10-[4-[3-(tritylamino)propoxy]phenyl]-21H,23H-porphyrin
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