Chem
J-GLOBAL ID：200907010358670771   Nikkaji number：J486.485I

5,10,15-Tris[2-(acetylamino)phenyl]-20-[2-[(2,2-dimethylpropanoyl)amino]phenyl]-21H,23H-porphyrin

5,10,15-トリス[2-(アセチルアミノ)フェニル]-20-[2-[(2,2-ジメチルプロパノイル)アミノ]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： C55H48N8O4
Molecular formula furigana： C55-H48-N8-O4
Molecular weight： 885.041
InChI： InChI=1S/C55H48N8O4/c1-31(64)56-38-19-11-7-15-34(38)50-42-23-25-44(59-42)51(35-16-8-12-20-39(35)57-32(2)65)46-27-29-48(61-46)53(37-18-10-14-22-41(37)63-54(67)55(4,5)6)49-30-28-47(62-49)52(45-26-24-43(50)60-45)36-17-9-13-21-40(36)58-33(3)66/h7-30,59,62H,1-6H3,(H,56,64)(H,57,65)(H,58,66)(H,63,67)/b50-42-,50-43-,51-44-,51-46-,52-45-,52-47-,53-48-,53-49-
InChI key： FVOZYMLBXQRZGB-APYASCQISA-N
SMILES： CC(=O)Nc1ccccc1/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccccc1NC(=O)C)[nH]4)/c1ccccc1NC(=O)C(C)(C)C)/C=C3)\c1ccccc1NC(=O)C)/[nH]2
Systematic name  (3)：
  • 5,10,15-トリス[2-(アセチルアミノ)フェニル]-20-[2-[(2,2-ジメチルプロパノイル)アミノ]フェニル]-21H,23H-ポルフィリン
  • 2,2-ジメチル-N-{2-[7,12,17-トリス(2-アセトアミドフェニル)-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-2-イル]フェニル}プロパンアミド
  • 2,2-dimethyl-N-{2-[7,12,17-tris(2-acetamidophenyl)-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-2-yl]phenyl}propanamide
Other name (1)：
  • 5,10,15-Tris[2-(acetylamino)phenyl]-20-[2-[(2,2-dimethylpropanoyl)amino]phenyl]-21H,23H-porphyrin
Thsaurus map：
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