Chem
J-GLOBAL ID：200907040541048997   Nikkaji number：J1.989.265D

5,10,15,20-Tetrakis(2-thienyl)-2,3-(naphthalene-1,8-diyl)-7,8-(naphthalene-1,8-diyl)-12,13-(naphthalene-1,8-diyl)-17,18-(naphthalene-1,8-diyl)-21H,23H-porphyrin

5,10,15,20-テトラキス(2-チエニル)-2,3-(ナフタレン-1,8-ジイル)-7,8-(ナフタレン-1,8-ジイル)-12,13-(ナフタレン-1,8-ジイル)-17,18-(ナフタレン-1,8-ジイル)-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： C76H38N4S4
Molecular formula furigana： C76-H38-N4-S4
Molecular weight： 1135.410
InChI： InChI=1S/C76H38N4S4/c1-13-37-14-2-22-42-53(37)41(21-1)57-58(42)70-66(50-30-10-34-82-50)72-61-45-25-5-17-39-18-6-26-46(55(39)45)62(61)74(79-72)68(52-32-12-36-84-52)76-64-48-28-8-20-40-19-7-27-47(56(40)48)63(64)75(80-76)67(51-31-11-35-83-51)73-60-44-24-4-16-38-15-3-23-43(54(38)44)59(60)71(78-73)65(69(57)77-70)49-29-9-33-81-49/h1-36,77,80H/b69-65-,70-66-,71-65-,72-66-,73-67-,74-68-,75-67-,76-68-
InChI key： PQHAKUOIVBXCRY-MQTRTBJBSA-N
SMILES： c1csc(c1)/C/1=c\2/nc(/C(=c/3\[nH]/c(=C(/c4cccs4)\c4n/c(=C(/c5cccs5)\c5[nH]c1c1c6cccc7cccc(c51)c67)/c1=c4c4cccc5cccc1c45)/c1c4cccc5cccc(c31)c45)/c1cccs1)c1=c2c2cccc3cccc1c23
Systematic name  (3)：
  • 5,10,15,20-テトラキス(2-チエニル)-2,3-(ナフタレン-1,8-ジイル)-7,8-(ナフタレン-1,8-ジイル)-12,13-(ナフタレン-1,8-ジイル)-17,18-(ナフタレン-1,8-ジイル)-21H,23H-ポルフィリン
  • 2,16,30,44-テトラキス(チオフェン-2-イル)-57,59,61,63-テトラアザヘプタデカシクロ[43.11.1.13,15.15,9.117,29.119,23.131,43.133,37.147,51.04,14.018,28.032,42.046,56.013,64.027,62.041,60.055,58]テトラヘキサコンタ-1,3,5,7,9,11,13(64),14,16,18(28),19(62),20,22,24,26,29(61),30,32(42),33(60),34,36,38,40,43,45(57),46(56),47(58),48,50,52,54-ヘントリアコンタエン
  • 2,16,30,44-tetrakis(thiophen-2-yl)-57,59,61,63-tetraazaheptadecacyclo[43.11.1.13,15.15,9.117,29.119,23.131,43.133,37.147,51.04,14.018,28.032,42.046,56.013,64.027,62.041,60.055,58]tetrahexaconta-1,3,5,7,9,11,13(64),14,16,18(28),19(62),20,22,24,26,29(61),30,32(42),33(60),34,36,38,40,43,45(57),46(56),47(58),48,50,52,54-hentriacontaene
Other name (1)：
  • 5,10,15,20-Tetrakis(2-thienyl)-2,3-(naphthalene-1,8-diyl)-7,8-(naphthalene-1,8-diyl)-12,13-(naphthalene-1,8-diyl)-17,18-(naphthalene-1,8-diyl)-21H,23H-porphyrin
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