Chemical Compound

4-[7,17-bis(3,5-di-tert-butylphenyl)-12-(4-{[4-(hydroxymethyl)phenyl]carbamoyl}phenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]-N-[4-(12-{4-[4-(cyclopenta-2,4-dien-1-yl)benzamido]phenyl}-7,17-bis(3,5-di-tert-butylphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl)phenyl]benzamide

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4-[7,17-bis(3,5-di-tert-butylphenyl)-12-(4-{[4-(hydroxymethyl)phenyl]carbamoyl}phenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]-N-[4-(12-{4-[4-(cyclopenta-2,4-dien-1-yl)benzamido]phenyl}-7,17-bis(3,5-di-tert-butylphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl)phenyl]benzamide 结构式
Primary record

4-[7,17-bis(3,5-di-tert-butylphenyl)-12-(4-{[4-(hydroxymethyl)phenyl]carbamoyl}phenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]-N-[4-(12-{4-[4-(cyclopenta-2,4-dien-1-yl)benzamido]phenyl}-7,17-bis(3,5-di-tert-butylphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl)phenyl]benzamide

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177625844
SMILES
CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(=O)NC8=CC=C(C=C8)C9=C1C=CC(=C(C2=NC(=C(C5=CC=C(N5)C(=C5C=CC9=N5)C5=CC(=CC(=C5)C(C)(C)C)C(C)(C)C)C5=CC=C(C=C5)NC(=O)C5=CC=C(C=C5)C5C=CC=C5)C=C2)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)N1)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C=C4)C1=CC=C(C=C1)C(=O)NC1=CC=C(C=C1)CO)N3)C(C)(C)C
Canonical SMILES
CC(C)(C)c1cc(-c2c3nc(c(-c4ccc(NC(=O)c5ccc(C6C=CC=C6)cc5)cc4)c4ccc([nH]4)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4nc(c(-c5ccc(NC(=O)c6ccc(-c7c8nc(c(-c9cc(C(C)(C)C)cc(C(C)(C)C)c9)c9ccc([nH]9)c(-c9ccc(C(=O)Nc%10ccc(CO)cc%10)cc9)c9nc(c(-c%10cc(C(C)(C)C)cc(C(C)(C)C)c%10)c%10ccc7[nH]%10)C=C9)C=C8)cc6)cc5)c5ccc2[nH]5)C=C4)C=C3)cc(C(C)(C)C)c1

名称与同义词

  • J1.584.952E
  • 4-[7,17-bis(3,5-di-tert-butylphenyl)-12-(4-{[4-(hydroxymethyl)phenyl]carbamoyl}phenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]-N-[4-(12-{4-[4-(cyclopenta-2,4-dien-1-yl)benzamido]phenyl}-7,17-bis(3,5-di-tert-butylphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl)phenyl]benzamide
  • N-[4-[15-[4-[4-[15-[4-[[4-(Hydroxymethyl)phenyl]carbamoyl]phenyl]-10,20-bis(3,5-di-tert-butylphenyl)-21H,23H-porphyrin-5-yl]benzoylamino]phenyl]-10,20-bis(3,5-di-tert-butylphenyl)-21H,23H-porphyrin-5-yl]phenyl]-4-(2,4-cyclopentadienyl)benzamide