Chemical Compound

SCHEMBL21261011

SCHEMBL21261011 chemical structure
Primary Record

SCHEMBL21261011

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
122223258
SMILES
CCC1=C(C2=C(C3=NC(=C(C4=C(C(=C(N4)C(=C5C(=C(C(=N5)C(=C1N2)C6=CC=C(C=C6)C#CC7=CC=C(C=C7)C(=O)O)CC)CC)C8=CC=C(C=C8)C#CC9=CC=C(C=C9)C(=O)O)CC)CC)C1=CC=C(C=C1)C#CC1=CC=C(C=C1)C(=O)O)C(=C3CC)CC)C1=CC=C(C=C1)C#CC1=CC=C(C=C1)C(=O)O)CC
Canonical SMILES
CCC1=C(CC)c2nc1c(-c1ccc(C#Cc3ccc(C(=O)O)cc3)cc1)c1[nH]c(c(CC)c1CC)c(-c1ccc(C#Cc3ccc(C(=O)O)cc3)cc1)c1nc(c(-c3ccc(C#Cc4ccc(C(=O)O)cc4)cc3)c3[nH]c(c(CC)c3CC)c2-c2ccc(C#Cc3ccc(C(=O)O)cc3)cc2)C(CC)=C1CC

Names & Synonyms

  • SCHEMBL21261011
  • J3.405.400B
  • 4,4 ,4 ,4 -[2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphyrin 5,10,15,20-tetrayltetrakis(p-phenyleneethynylene)]tetrabenzoic acid
  • 4-(2-{4-[7,12,17-tris({4-[2-(4-carboxyphenyl)ethynyl]phenyl})-4,5,9,10,14,15,19,20-octaethyl-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}ethynyl)benzoic acid