Chem
J-GLOBAL ID:200907017167928951   Nikkaji number:J2.109.076J

5,15-[(1,4-Phenylenebiscarbonyl)bis(pyrrolidine-1,2α-diyl)bis(carbonyl)bis(imino)bis(2,1-phenylene)]-10,20-[(1,3-phenylenebiscarbonyl)bis(pyrrolidine-1,2α-diyl)bis(carbonyl)bis(imino)bis(2,1-phenylene)]-21H,23H-porphyrin

5,15-[(1,4-フェニレンビスカルボニル)ビス(ピロリジン-1,2α-ジイル)ビス(カルボニル)ビス(イミノ)ビス(2,1-フェニレン)]-10,20-[(1,3-フェニレンビスカルボニル)ビス(ピロリジン-1,2α-ジイル)ビス(カルボニル)ビス(イミノ)ビス(2,1-フェニレン)]-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: C80H66N12O8
Molecular formula furigana: C80-H66-N12-O8
Molecular weight: 1323.484
InChI: InChI=1S/C80H66N12O8/c93-73-65-24-10-40-89(65)77(97)45-28-30-46(31-29-45)78(98)90-41-11-25-66(90)74(94)86-54-21-6-2-17-50(54)70-59-34-38-63(83-59)71-51-18-3-7-22-55(51)87-75(95)67-26-12-42-91(67)79(99)47-14-9-15-48(44-47)80(100)92-43-13-27-68(92)76(96)88-56-23-8-4-19-52(56)72(64-39-35-60(70)84-64)62-37-33-58(82-62)69(57-32-36-61(71)81-57)49-16-1-5-20-53(49)85-73/h1-9,14-23,28-39,44,65-68,81,84H,10-13,24-27,40-43H2,(H,85,93)(H,86,94)(H,87,95)(H,88,96)/b69-57-,69-58-,70-59+,70-60-,71-61-,71-63+,72-62-,72-64-/t65-,66-,67-,68-/m0/s1
InChI key: ZUTAATTZWQLCKY-BCMOCGDDSA-N
SMILES: O=C1Nc2ccccc2/C/2=c/3\cc/c(=C/4\c5c(NC(=O)[C@H]6N(C(=O)c7cccc(C(=O)N8[C@H](C(=O)Nc9c(/C(=C\%10/C=CC2=N%10)/c2ccc(/C(=C\%10/C=CC4=N%10)/c4ccccc4NC(=O)[C@@H]4CCCN4C(=O)c4ccc(cc4)C(=O)N4CCC[C@@H]14)[nH]2)cccc9)CCC8)c7)CCC6)cccc5)/[nH]3
Systematic name  (3):
  • 5,15-[(1,4-フェニレンビスカルボニル)ビス(ピロリジン-1,2α-ジイル)ビス(カルボニル)ビス(イミノ)ビス(2,1-フェニレン)]-10,20-[(1,3-フェニレンビスカルボニル)ビス(ピロリジン-1,2α-ジイル)ビス(カルボニル)ビス(イミノ)ビス(2,1-フェニレン)]-21H,23H-ポルフィリン
  • (15S,31S,54S,69S)-13,19,27,33,52,58,65,71,82,89,91,92-ドデカアザヘプタデカシクロ[38.37.4.46,45.260,63.12,5.121,25.141,44.178,81.07,12.015,19.027,31.034,39.046,51.054,58.065,69.072,77.185,88]ドノナコンタ-1(78),2,4,6(88),7,9,11,21,23,25(90),34,36,38,40,42,44,46,48,50,60,62,72,74,76,79,81,83,85(92),86-ノナコサエン-14,20,26,32,53,59,64,70-オクタオン
  • (15S,31S,54S,69S)-13,19,27,33,52,58,65,71,82,89,91,92-dodecaazaheptadecacyclo[38.37.4.46,45.260,63.12,5.121,25.141,44.178,81.07,12.015,19.027,31.034,39.046,51.054,58.065,69.072,77.185,88]dononaconta-1(78),2,4,6(88),7,9,11,21,23,25(90),34,36,38,40,42,44,46,48,50,60,62,72,74,76,79,81,83,85(92),86-nonacosaen-14,20,26,32,53,59,64,70-octone
Other name (1):
  • 5,15-[(1,4-Phenylenebiscarbonyl)bis(pyrrolidine-1,2α-diyl)bis(carbonyl)bis(imino)bis(2,1-phenylene)]-10,20-[(1,3-phenylenebiscarbonyl)bis(pyrrolidine-1,2α-diyl)bis(carbonyl)bis(imino)bis(2,1-phenylene)]-21H,23H-porphyrin
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