Chemical Compound

4-[59-(4-cyanophenyl)-20,26-dioxo-7,10,13,16,30,33,36,39-octaoxa-19,27,64,65,66,67,69-heptaazanonacyclo[43.9.9.12,6.121,25.140,44.146,49.151,54.155,58.160,63]heptaconta-1(55),2,4,6(70),21,23,25(69),40,42,44(68),45(63),46(67),47,49,51,53,56,58(65),59,61-icosaen-50-yl]benzonitrile

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4-[59-(4-cyanophenyl)-20,26-dioxo-7,10,13,16,30,33,36,39-octaoxa-19,27,64,65,66,67,69-heptaazanonacyclo[43.9.9.12,6.121,25.140,44.146,49.151,54.155,58.160,63]heptaconta-1(55),2,4,6(70),21,23,25(69),40,42,44(68),45(63),46(67),47,49,51,53,56,58(65),59,61-icosaen-50-yl]benzonitrile 结构式
Primary record

4-[59-(4-cyanophenyl)-20,26-dioxo-7,10,13,16,30,33,36,39-octaoxa-19,27,64,65,66,67,69-heptaazanonacyclo[43.9.9.12,6.121,25.140,44.146,49.151,54.155,58.160,63]heptaconta-1(55),2,4,6(70),21,23,25(69),40,42,44(68),45(63),46(67),47,49,51,53,56,58(65),59,61-icosaen-50-yl]benzonitrile

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177562592
SMILES
C1COCCOCCOCCOC2=CC=CC(=C2)C3=C4C=CC(=C(C5=NC(=C(C6=CC(=CC=C6)OCCOCCOCCOCCNC(=O)C7=CC=CC(=N7)C(=O)N1)C8=CC=C(N8)C(=C9C=CC3=N9)C1=CC=C(C=C1)C#N)C=C5)C1=CC=C(C=C1)C#N)N4
Canonical SMILES
N#Cc1ccc(-c2c3nc(c4c5ccc([nH]5)c(-c5ccc(C#N)cc5)c5nc(c(c6ccc2[nH]6)-c2cccc(c2)OCCOCCOCCOCCNC(=O)c2cccc(n2)C(=O)NCCOCCOCCOCCOc2cccc-4c2)C=C5)C=C3)cc1

名称与同义词

  • J3.105.704C
  • 4-[59-(4-cyanophenyl)-20,26-dioxo-7,10,13,16,30,33,36,39-octaoxa-19,27,64,65,66,67,69-heptaazanonacyclo[43.9.9.12,6.121,25.140,44.146,49.151,54.155,58.160,63]heptaconta-1(55),2,4,6(70),21,23,25(69),40,42,44(68),45(63),46(67),47,49,51,53,56,58(65),59,61-icosaen-50-yl]benzonitrile
  • 5,15-[2,6-Pyridinediylbis[carbonyliminoethyleneoxyethyleneoxyethyleneoxyethyleneoxy(3,1-phenylene)]]-10,20-bis(4-cyanophenyl)-21H,23H-porphyrin