Chem
J-GLOBAL ID：200907090573452789   Nikkaji number：J2.316.596A

5,15-Bis(3,5-di-tert-butylphenyl)-20-(4-ethynylphenyl)-10-[4-(methylthio)phenyl]-21H,23H-porphyrin

5,15-ビス(3,5-ジ-tert-ブチルフェニル)-20-(4-エチニルフェニル)-10-[4-(メチルチオ)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： C63H64N4S
Molecular formula furigana： C63-H64-N4-S
Molecular weight： 909.290
InChI： InChI=1S/C63H64N4S/c1-15-38-16-18-39(19-17-38)56-48-24-28-52(64-48)58(41-32-43(60(2,3)4)36-44(33-41)61(5,6)7)54-30-26-50(66-54)57(40-20-22-47(68-14)23-21-40)51-27-31-55(67-51)59(53-29-25-49(56)65-53)42-34-45(62(8,9)10)37-46(35-42)63(11,12)13/h1,16-37,64,67H,2-14H3/b56-48-,56-49-,57-50-,57-51-,58-52-,58-54-,59-53-,59-55-
InChI key： SYPQDFSKJBMOLQ-REXSKVJUSA-N
SMILES： CSc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C)[nH]4)/c1ccc(cc1)C#C)/C=C3)\c1cc(cc(c1)C(C)(C)C)C(C)(C)C)/[nH]2
Systematic name  (3)：
  • 5,15-ビス(3,5-ジ-tert-ブチルフェニル)-20-(4-エチニルフェニル)-10-[4-(メチルチオ)フェニル]-21H,23H-ポルフィリン
  • 2,12-ビス(3,5-ジ-tert-ブチルフェニル)-7-(4-エチニルフェニル)-17-[4-(メチルスルファニル)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
  • 2,12-bis(3,5-di-tert-butylphenyl)-7-(4-ethynylphenyl)-17-[4-(methylsulfanyl)phenyl]-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-undecaene
Other name (1)：
  • 5,15-Bis(3,5-di-tert-butylphenyl)-20-(4-ethynylphenyl)-10-[4-(methylthio)phenyl]-21H,23H-porphyrin
Thsaurus map：
Thesaurus Map

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