Chemical Compound

J3.113.612A

J3.113.612A chemical structure
Primary Record

J3.113.612A

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177510031
SMILES
CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=N3)C(=C4C(=C(C(=C(C5=NC(=C(C6=C(C(=C2N6)C#N)C#N)C7=CC=C(C=C7)C(=O)NC8=CC=C(C=C8)C9=C1C=CC(=C(C2=NC(=C(C3=CC=C(N3)C(=C3C=CC9=N3)C3=C(C(=C(C(=C3F)F)F)F)F)C3=CC(=C(C(=C3)C(C)(C)C)O)C3=NC6=CC=CC=C6N3)C=C2)C2=C(C(=C(C(=C2F)F)F)F)F)N1)C=C5)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)N4)C#N)C#N)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C(C)(C)C
Canonical SMILES
CC(C)(C)c1cc(-c2c3nc(c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4[nH]c(c(C#N)c4C#N)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4nc(c(-c5ccc(C(=O)Nc6ccc(-c7c8nc(c(-c9c(F)c(F)c(F)c(F)c9F)c9ccc([nH]9)c(-c9cc(-c%10nc%11ccccc%11[nH]%10)c(O)c(C(C)(C)C)c9)c9nc(c(-c%10c(F)c(F)c(F)c(F)c%10F)c%10ccc7[nH]%10)C=C9)C=C8)cc6)cc5)c5[nH]c2c(C#N)c5C#N)C=C4)C=C3)cc(C(C)(C)C)c1

Names & Synonyms

  • J3.113.612A
  • 4-[10,15,20-Tris(3,5-di-tert-butylphenyl)-2,3,12,13-tetracyano-21H,23H-porphyrin-5-yl]-N-[4-[5-[5-tert-butyl-4-hydroxy-3-(1H-benzoimidazole-2-yl)phenyl]-10,20-bis(pentafluorophenyl)-21H,23H-porphyrin-15-yl]phenyl]benzamide
  • N-(4-{12-[3-(1H-1,3-benzodiazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]-7,17-bis(2,3,4,5,6-pentafluorophenyl)-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}phenyl)-4-[4,5,14,15-tetracyano-7,12,17-tris(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]benzamide