N,N-dioctadecyl-4-[(E)-2-quinolin-4-ylethenyl]aniline

Systemtic Name: N,N-dioctadecyl-4-[(E)-2-quinolin-4-ylethenyl]aniline Openeye Name: N,N-dioctadecyl-4-[(E)-2-(4-quinolyl)vinyl]aniline CAS Name: N,N-dioctadecyl-4-[(E)-2-(4-quinolinyl)ethenyl]aniline IUPAC Name: N,N-dioctadecyl-4-[(E)-2-quinolin-4-ylethenyl]aniline Traditional Name: [4-[(E)-2-(4-quinolyl)vinyl]phenyl]-distearyl-amine Formula: C53H86N2 MolecularWeight: 751.26334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C1=CC=C(C=C1)/C=C/C2=CC=NC3=CC=CC=C23

InChI

InChI=1S/C53H86N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-47-55(48-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)51-43-40-49(41-44-51)39-42-50-45-46-54-53-38-34-33-37-52(50)53/h33-34,37-46H,3-32,35-36,47-48H2,1-2H3/b42-39+