Chemical Compound

J1.391.131B

J1.391.131B chemical structure
Primary Record

J1.391.131B

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
136834284
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(C)(C)C)C8=C(C=C(C=C8CBr)C(C)(C)C)CC#N)C=C4)C9=CC=C(C=C9)C(C)(C)C)N3
Canonical SMILES
CC(C)(C)c1ccc(-c2c3nc(c(-c4ccc(C(C)(C)C)cc4)c4ccc([nH]4)c(-c4c(CBr)cc(C(C)(C)C)cc4CC#N)c4nc(c(-c5ccc(C(C)(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

Names & Synonyms

  • J1.391.131B
  • 2-[3-(bromomethyl)-5-tert-butyl-2-[7,12,17-tris(4-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]acetonitrile
  • 5,10,15-Tris(4-tert-butylphenyl)-20-[2-(cyanomethyl)-4-tert-butyl-6-(bromomethyl)phenyl]-21H,23H-porphyrin