Chem
J-GLOBAL ID：200907065074452994   Nikkaji number：J2.508.603A

22,72,122,172-Tetramethyl-23,73,123,173-tetrakis(2,2′:6′,2′′-terpyridine-4′-yl)phthalocyanine

22,72,122,172-テトラメチル-23,73,123,173-テトラキス(2,2′:6′,2′′-テルピリジン-4′-イル)フタロシアニン
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： C96H62N20
Molecular formula furigana： C96-H62-N20
Molecular weight： 1495.692
InChI： InChI=1S/C96H62N20/c1-53-37-65-69(49-61(53)57-41-81(73-21-5-13-29-97-73)105-82(42-57)74-22-6-14-30-98-74)93-109-89(65)113-94-70-50-62(58-43-83(75-23-7-15-31-99-75)106-84(44-58)76-24-8-16-32-100-76)54(2)38-66(70)91(110-94)115-96-72-52-64(60-47-87(79-27-11-19-35-103-79)108-88(48-60)80-28-12-20-36-104-80)56(4)40-68(72)92(112-96)116-95-71-51-63(55(3)39-67(71)90(111-95)114-93)59-45-85(77-25-9-17-33-101-77)107-86(46-59)78-26-10-18-34-102-78/h5-52H,1-4H3,(H2,109,110,111,112,113,114,115,116)
InChI key： YWAGJMPYKMWVKL-UHFFFAOYSA-N
SMILES： Cc1cc2/C/3=N/c4[nH]c(/N=C/5\N=C(/N=c/6\[nH]/c(=N\C(=N3)c2cc1c1cc(nc(c1)c1ccccn1)c1ccccn1)/c1c6cc(c(C)c1)c1cc(nc(c1)c1ccccn1)c1ccccn1)c1c5cc(c(C)c1)c1cc(nc(c1)c1ccccn1)c1ccccn1)c1c4cc(c(C)c1)c1cc(nc(c1)c1ccccn1)c1ccccn1
Systematic name  (3)：
  • 22,72,122,172-テトラメチル-23,73,123,173-テトラキス(2,2′:6′,2′′-テルピリジン-4′-イル)フタロシアニン
  • 6,15,24,33-テトラメチル-7,16,25,34-テトラキス[6-(ピリジン-2-イル)-[2,2'-ビピリジン]-4-イル]-2,11,20,29,37,38,39,40-オクタアザノナシクロ[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]テトラコンタ-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-ノナデカエン
  • 6,15,24,33-tetramethyl-7,16,25,34-tetrakis[6-(pyridin-2-yl)-[2,2'-bipyridin]-4-yl]-2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
Other name (1)：
  • 22,72,122,172-Tetramethyl-23,73,123,173-tetrakis(2,2′:6′,2′′-terpyridine-4′-yl)phthalocyanine
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