Chem
J-GLOBAL ID：200907057821134473   Nikkaji number：J1.610.694A

22,72,122,172-Tetrakis(2,2′:6′,2′′-terpyridine-4′′-yl)-23,73,123,173-tetramethyl-5,10,15,20-tetraaza-21H,23H-tetrabenzo[b,g,l,q]porphyrin

22,72,122,172-テトラキス(2,2′:6′,2′′-テルピリジン-4′′-イル)-23,73,123,173-テトラメチル-5,10,15,20-テトラアザ-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： C96H62N20
Molecular formula furigana： C96-H62-N20
Molecular weight： 1495.692
InChI： InChI=1S/C96H62N20/c1-53-41-65-69(49-61(53)57-29-37-101-85(45-57)81-25-13-21-77(105-81)73-17-5-9-33-97-73)93-109-89(65)113-94-70-50-62(58-30-38-102-86(46-58)82-26-14-22-78(106-82)74-18-6-10-34-98-74)54(2)42-66(70)91(110-94)115-96-72-52-64(60-32-40-104-88(48-60)84-28-16-24-80(108-84)76-20-8-12-36-100-76)56(4)44-68(72)92(112-96)116-95-71-51-63(55(3)43-67(71)90(111-95)114-93)59-31-39-103-87(47-59)83-27-15-23-79(107-83)75-19-7-11-35-99-75/h5-52H,1-4H3,(H2,109,110,111,112,113,114,115,116)
InChI key： JCCOMZFCAUIJGX-UHFFFAOYSA-N
SMILES： Cc1cc2/C/3=N/c4[nH]c(/N=C/5\N=C(/N=c/6\[nH]/c(=N\C(=N3)c2cc1c1ccnc(c1)c1cccc(n1)c1ccccn1)/c1c6cc(c(C)c1)c1ccnc(c1)c1cccc(n1)c1ccccn1)c1c5cc(c(C)c1)c1ccnc(c1)c1cccc(n1)c1ccccn1)c1c4cc(c(C)c1)c1ccnc(c1)c1cccc(n1)c1ccccn1
Systematic name  (3)：
  • 22,72,122,172-テトラキス(2,2′:6′,2′′-テルピリジン-4′′-イル)-23,73,123,173-テトラメチル-5,10,15,20-テトラアザ-21H,23H-テトラベンゾ[b,g,l,q]ポルフィリン
  • 6,15,24,33-テトラキス(2-{[2,2'-ビピリジン]-6-イル}ピリジン-4-イル)-7,16,25,34-テトラメチル-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-tetrakis(2-{[2,2'-bipyridin]-6-yl}pyridin-4-yl)-7,16,25,34-tetramethyl-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-Tetrakis(2,2′:6′,2′′-terpyridine-4′′-yl)-23,73,123,173-tetramethyl-5,10,15,20-tetraaza-21H,23H-tetrabenzo[b,g,l,q]porphyrin
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