Chem
J-GLOBAL ID：200907013360842554   Nikkaji number：J2.197.053K

22,23:72,73:122,123:172,173-Tetrakis[[[4,5-bis(propylthio)-1,3-dithiol-2-ylidene]methylene]bisthio]-21H,23H-tetrabenzo[b,g,l,q]porphyrin

22,23:72,73:122,123:172,173-テトラキス[[[4,5-ビス(プロピルチオ)-1,3-ジチオール-2-イリデン]メチレン]ビスチオ]-21H,23H-テトラベンゾ[b,g,l,q]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： C76H70N4S24
Molecular formula furigana： C76-H70-N4-S24
Molecular weight： 1808.860
InChI： InChI=1S/C76H70N4S24/c1-9-17-81-61-62(82-18-10-2)98-73(97-61)69-89-53-25-37-38(26-54(53)90-69)46-34-48-40-28-56-58(94-71(92-56)75-101-65(85-21-13-5)66(102-75)86-22-14-6)30-42(40)50(79-48)36-52-44-32-60-59(95-72(96-60)76-103-67(87-23-15-7)68(104-76)88-24-16-8)31-43(44)51(80-52)35-49-41-29-57-55(27-39(41)47(78-49)33-45(37)77-46)91-70(93-57)74-99-63(83-19-11-3)64(100-74)84-20-12-4/h25-36,77,80H,9-24H2,1-8H3/b45-33-,46-34-,47-33-,48-34-,49-35-,50-36-,51-35-,52-36-
InChI key： HMDNQDDPXZZYOT-CPTJVFETSA-N
SMILES： CCCSC1=C(SCCC)S/C(=c\2/sc3cc4c5/C=c/6\[nH]/c(=C\c7n/c(=C\c8[nH]c(/C=c(\n5)/c4cc3s2)c2cc3s/c(=C/4\SC(=C(SCCC)S4)SCCC)/sc3cc82)/c2cc3s/c(=C/4\SC(=C(SCCC)S4)SCCC)/sc3cc72)/c2cc3s/c(=C/4\SC(=C(SCCC)S4)SCCC)/sc3cc62)/S1
Systematic name  (3)：
  • 22,23:72,73:122,123:172,173-テトラキス[[[4,5-ビス(プロピルチオ)-1,3-ジチオール-2-イリデン]メチレン]ビスチオ]-21H,23H-テトラベンゾ[b,g,l,q]ポルフィリン
  • 8,20,32,44-テトラキス[4,5-ビス(プロピルスルファニル)-2H-1,3-ジチオール-2-イリデン]-7,9,19,21,31,33,43,45-オクタチア-49,50,51,52-テトラアザトリデカシクロ[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]ドペンタコンタ-1,3,5,10,12,14,16(24),17,22,25(51),26,28(36),29,34,37,39(49),40(48),41,46-ノナデカエン
  • 8,20,32,44-tetrakis[4,5-bis(propylsulfanyl)-2H-1,3-dithiol-2-ylidene]-7,9,19,21,31,33,43,45-octathia-49,50,51,52-tetraazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16(24),17,22,25(51),26,28(36),29,34,37,39(49),40(48),41,46-nonadecaene
Other name (1)：
  • 22,23:72,73:122,123:172,173-Tetrakis[[[4,5-bis(propylthio)-1,3-dithiol-2-ylidene]methylene]bisthio]-21H,23H-tetrabenzo[b,g,l,q]porphyrin
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