Chem
J-GLOBAL ID：200907067857783384   Nikkaji number：J1.610.696H

22,72,122,172-Tetrakis[6-[(2,2-dimethylpropyl)oxy]-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[6-[(2,2-ジメチルプロピル)オキシ]-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： C116H102N20O4
Molecular formula furigana： C116-H102-N20-O4
Molecular weight： 1840.228
InChI： InChI=1S/C116H102N20O4/c1-65-49-77-81(57-73(65)69-41-45-117-97(53-69)93-29-17-25-85(121-93)89-33-21-37-101(125-89)137-61-113(5,6)7)109-129-105(77)133-110-82-58-74(70-42-46-118-98(54-70)94-30-18-26-86(122-94)90-34-22-38-102(126-90)138-62-114(8,9)10)66(2)50-78(82)107(130-110)135-112-84-60-76(72-44-48-120-100(56-72)96-32-20-28-88(124-96)92-36-24-40-104(128-92)140-64-116(14,15)16)68(4)52-80(84)108(132-112)136-111-83-59-75(67(3)51-79(83)106(131-111)134-109)71-43-47-119-99(55-71)95-31-19-27-87(123-95)91-35-23-39-103(127-91)139-63-115(11,12)13/h17-60H,61-64H2,1-16H3,(H2,129,130,131,132,133,134,135,136)
InChI key： HXPMAWZAYFRBRS-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)c1cccc(OCC(C)(C)C)n1)/c1c6cc(c(C)c1)c1ccnc(c1)c1cccc(n1)c1cccc(OCC(C)(C)C)n1)c1c5cc(c(C)c1)c1ccnc(c1)c1cccc(n1)c1cccc(OCC(C)(C)C)n1)c1c4cc(c(C)c1)c1ccnc(c1)c1cccc(n1)c1cccc(OCC(C)(C)C)n1
Systematic name  (3)：
  • 22,72,122,172-テトラキス[6-[(2,2-ジメチルプロピル)オキシ]-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-[6'-(2,2-ジメチルプロポキシ)-[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-[6'-(2,2-dimethylpropoxy)-[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[6-[(2,2-dimethylpropyl)oxy]-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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