Chem
J-GLOBAL ID:200907042968576962   Nikkaji number:J2.180.542D

1,1′,10,10′-[2-(22,72,122-Tri-tert-butylphthalocyanin-172-yl)-1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrolidine-3,3,4,4-tetryl]-1′′,6′,7′,10′′-(1,1,2,2-ethenetetryl)-6,6′′,7,7′′-(1,1,2,2-ethenetetryl)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-benzenehexyl)-5,5′′:8,8′′:8′,9′′:9,9′-tetrakiscyclo-2,2′:5′,2′′-terfluoranthene

1,1′,10,10′-[2-(22,72,122-トリ-tert-ブチルフタロシアニン-172-イル)-1-[2-[2-(2-アミノエトキシ)エトキシ]エチル]ピロリジン-3,3,4,4-テトライル]-1′′,6′,7′,10′′-(1,1,2,2-エテンテトライル)-6,6′′,7,7′′-(1,1,2,2-エテンテトライル)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-ベンゼンヘキサイル)-5,5′′:8,8′′:8′,9′′:9,9′-テトラキスシクロ-2,2′:5′,2′′-テルフルオランテン
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: C112H58N10O2
Molecular formula furigana: C112-H58-N10-O2
Molecular weight: 1575.764
InChI: InChI=1S/C112H58N10O2/c1-108(2,3)30-11-15-34-38(25-30)106-117-101(34)115-104-37-24-29(10-14-33(37)100(114-104)116-105-39-26-31(109(4,5)6)12-16-35(39)102(118-105)120-107-40-27-32(110(7,8)9)13-17-36(40)103(119-106)121-107)99-112-97-91-85-75-63-55-47-43-41-42-45-49(47)57(63)67-61-53(45)54-46(42)50-48-44(41)52-51(43)59-65(55)73-79-69(59)70-60(52)66-56(48)64-58(50)68-62(54)72-71(61)83(77(67)85)93(97)94-84(72)78(68)86-76(64)82-74(66)80(70)88-87(79)95(89(91)81(73)75)111(112,96(88)90(82)92(86)98(94)112)28-122(99)19-21-124-23-22-123-20-18-113/h10-17,24-27,99H,18-23,28,113H2,1-9H3,(H2,114,115,116,117,118,119,120,121)
InChI key: WDOWLUWLFCSYOF-UHFFFAOYSA-N
SMILES: CC(C)(C)c1ccc2/C/3=N/c4[nH]c(/N=C/5\N=C(/N=c/6\[nH]/c(=N\C(=N3)c2c1)/c1c6cc(cc1)C(C)(C)C)c1c5cc(cc1)C1N(CCOCCOCCN)CC23c5c6c7c2c2c8c9c%10c%11c(c%12c5c5c%13c%12c%12c%11c%11c%14c%10c%10c8c8c2c2c7c7c%15c6c5c5c%15c6c%15c7c2c2c8c7c%10c%14c8c%10c%11c%12c%11c%13c5c5c%11c%10c%10c8c7c2c%15c%10c65)C139)c1c4cc(cc1)C(C)(C)C
Systematic name  (3):
  • 1,1′,10,10′-[2-(22,72,122-トリ-tert-ブチルフタロシアニン-172-イル)-1-[2-[2-(2-アミノエトキシ)エトキシ]エチル]ピロリジン-3,3,4,4-テトライル]-1′′,6′,7′,10′′-(1,1,2,2-エテンテトライル)-6,6′′,7,7′′-(1,1,2,2-エテンテトライル)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-ベンゼンヘキサイル)-5,5′′:8,8′′:8′,9′′:9,9′-テトラキスシクロ-2,2′:5′,2′′-テルフルオランテン
  • 21-{2-[2-(2-アミノエトキシ)エトキシ]エチル}-20-{15,24,33-トリ-tert-ブチル-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(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,30,32,34-ノナデカエン-6-イル}-21-アザドトリアコンタシクロ[8.7.46.02,6.03,27.04,34.05,61.07,63.08,17.09,14.011,57.012,55.013,49.015,48.016,19.018,26.019,23.023,47.024,45.025,29.028,33.030,44.031,42.032,36.035,60.037,41.038,59.039,56.040,53.043,52.046,51.050,54.058,62]トリヘキサコンタ-1(17),2(6),3(27),4(34),5(61),7,9(14),10,12(55),13(49),15,18(26),24,28,30(44),31(42),32,35,37,39(56),40,43(52),45,47,50,53,57,59,62-ノナコサエン
  • 21-{2-[2-(2-aminoethoxy)ethoxy]ethyl}-20-{15,24,33-tri-tert-butyl-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(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,30,32,34-nonadecaen-6-yl}-21-azadotriacontacyclo[8.7.46.02,6.03,27.04,34.05,61.07,63.08,17.09,14.011,57.012,55.013,49.015,48.016,19.018,26.019,23.023,47.024,45.025,29.028,33.030,44.031,42.032,36.035,60.037,41.038,59.039,56.040,53.043,52.046,51.050,54.058,62]trihexaconta-1(17),2(6),3(27),4(34),5(61),7,9(14),10,12(55),13(49),15,18(26),24,28,30(44),31(42),32,35,37,39(56),40,43(52),45,47,50,53,57,59,62-nonacosaene
Other name (1):
  • 1,1′,10,10′-[2-(22,72,122-Tri-tert-butylphthalocyanin-172-yl)-1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrolidine-3,3,4,4-tetryl]-1′′,6′,7′,10′′-(1,1,2,2-ethenetetryl)-6,6′′,7,7′′-(1,1,2,2-ethenetetryl)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-benzenehexyl)-5,5′′:8,8′′:8′,9′′:9,9′-tetrakiscyclo-2,2′:5′,2′′-terfluoranthene
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