Chem
J-GLOBAL ID：201207016282569476   Nikkaji number：J3.037.965I

5,10,15,20-Tetrakis[4-[6-[4-(azidomethyl)benzylamino]hexyloxy]phenyl]-21H,22H,23H-porphyrin-22-ium

5,10,15,20-テトラキス[4-[6-[4-(アジドメチル)ベンジルアミノ]ヘキシルオキシ]フェニル]-21H,22H,23H-ポルフィリン-22-イウム
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： C100H111N11[N-]4[N+]5O4
Molecular formula furigana： C100-H111-N20-O4
Molecular weight： 1657.123
InChI： InChI=1S/C100H110N20O4/c101-117-109-69-77-25-17-73(18-26-77)65-105-57-9-1-5-13-61-121-85-41-33-81(34-42-85)97-89-49-51-91(113-89)98(82-35-43-86(44-36-82)122-62-14-6-2-10-58-106-66-74-19-27-78(28-20-74)70-110-118-102)93-53-55-95(115-93)100(84-39-47-88(48-40-84)124-64-16-8-4-12-60-108-68-76-23-31-80(32-24-76)72-112-120-104)96-56-54-94(116-96)99(92-52-50-90(97)114-92)83-37-45-87(46-38-83)123-63-15-7-3-11-59-107-67-75-21-29-79(30-22-75)71-111-119-103/h17-56,105-108,113,116H,1-16,57-72H2/p+1/b97-89-,97-90-,98-91-,98-93-,99-92-,99-94-,100-95-,100-96-
InChI key： JYEPGIMTVJRGJM-YCEIBDQGSA-O
SMILES： [N-]=[N+]=NCc1ccc(CNCCCCCCOc2ccc(cc2)/C/2=c/3\cc/c(=C(/C4=[NH+]/C(=C(\c5ccc(/C(=C\6/C=CC2=N6)/c2ccc(OCCCCCCNCc6ccc(CN=[N+]=[N-])cc6)cc2)[nH]5)/c2ccc(OCCCCCCNCc5ccc(CN=[N+]=[N-])cc5)cc2)/C=C4)\c2ccc(OCCCCCCNCc4ccc(CN=[N+]=[N-])cc4)cc2)/[nH]3)cc1
Systematic name  (4)：
  • 5,10,15,20-テトラキス[4-[6-[4-(アジドメチル)ベンジルアミノ]ヘキシルオキシ]フェニル]-21H,22H,23H-ポルフィリン-22-イウム
  • 5,10,15,20-テトラキス[4-[6-[4-(アジドメチル)ベンジルアミノ]ヘキシルオキシ]フェニル]-22-ヒドロ-21H,23H-ポルフィリン-22-イウム
  • 2,7,12,17-テトラキス(4-{[6-({[4-(アジドメチル)フェニル]メチル}アミノ)ヘキシル]オキシ}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-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン-21-イウム
  • 2,7,12,17-tetrakis(4-{[6-({[4-(azidomethyl)phenyl]methyl}amino)hexyl]oxy}phenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-21-ium
Other name (2)：
  • 5,10,15,20-Tetrakis[4-[6-[4-(azidomethyl)benzylamino]hexyloxy]phenyl]-21H,22H,23H-porphyrin-22-ium
  • 5,10,15,20-Tetrakis[4-[6-[4-(azidomethyl)benzylamino]hexyloxy]phenyl]-22-hydro-21H,23H-porphyrin-22-ium
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