Chem
J-GLOBAL ID:200907050569892020   Nikkaji number:J2.181.537C

3,7,13,17-Tetramethyl-5,15-[1,5-naphthalenediylbis[(oxyethyleneoxyethylene)dithiomethylene(3,1-phenylene)]]-21H,23H-porphyrin

3,7,13,17-テトラメチル-5,15-[1,5-ナフタレンジイルビス[(オキシエチレンオキシエチレン)ジチオメチレン(3,1-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: C56H54N4O4S4
Molecular formula furigana: C56-H54-N4-O4-S4
Molecular weight: 975.310
InChI: InChI=1S/C56H54N4O4S4/c1-35-25-43-31-44-27-37(3)55(59-44)52-42-12-6-10-40(30-42)34-68-66-24-22-62-18-20-64-50-16-8-13-47-48(50)14-7-15-49(47)63-19-17-61-21-23-65-67-33-39-9-5-11-41(29-39)51(53(35)57-43)54-36(2)26-45(58-54)32-46-28-38(4)56(52)60-46/h5-16,25-32,57,60H,17-24,33-34H2,1-4H3/b43-31-,44-31-,45-32-,46-32+,53-51-,54-51-,55-52-,56-52+
InChI key: INJCCQWYGOQGIV-RMZYYDQRSA-N
SMILES: CC1=C/C/2=C/c3cc(C)c([nH]3)/C/3=C\4/C(=CC(=N4)/C=c/4\[nH]/c(=C(/c5cccc(CSSCCOCCOc6c7cccc(OCCOCCSSCc8cccc3c8)c7ccc6)c5)\C1=N2)/c(c4)C)C
Systematic name  (3):
  • 3,7,13,17-テトラメチル-5,15-[1,5-ナフタレンジイルビス[(オキシエチレンオキシエチレン)ジチオメチレン(3,1-フェニレン)]]-21H,23H-ポルフィリン
  • 42,48,51,57-テトラメチル-12,15,26,29-テトラオキサ-8,9,32,33-テトラチア-59,60,61,62-テトラアザデカシクロ[38.9.9.12,6.135,39.141,44.146,49.150,53.155,58.016,21.020,25]テトラヘキサコンタ-1(49),2,4,6(64),16(21),17,19,22,24,35,37,39(63),40,42,44,46(61),47,50,52,54,56,58-ドコサエン
  • 42,48,51,57-tetramethyl-12,15,26,29-tetraoxa-8,9,32,33-tetrathia-59,60,61,62-tetraazadecacyclo[38.9.9.12,6.135,39.141,44.146,49.150,53.155,58.016,21.020,25]tetrahexaconta-1(49),2,4,6(64),16(21),17,19,22,24,35,37,39(63),40,42,44,46(61),47,50,52,54,56,58-docosaene
Other name (1):
  • 3,7,13,17-Tetramethyl-5,15-[1,5-naphthalenediylbis[(oxyethyleneoxyethylene)dithiomethylene(3,1-phenylene)]]-21H,23H-porphyrin
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