N,N-didodecyl-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]aniline

Systemtic Name: N,N-didodecyl-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]aniline Openeye Name: N,N-didodecyl-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]aniline CAS Name: N,N-didodecyl-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]aniline IUPAC Name: N,N-didodecyl-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]aniline Traditional Name: dilauryl-[4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl]amine Formula: C46H63N MolecularWeight: 629.99912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CCCCCCCCCCCC)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCN(CCCCCCCCCCCC)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C46H63N/c1-3-5-7-9-11-13-15-17-19-24-40-47(41-25-20-18-16-14-12-10-8-6-4-2)46-38-36-45(37-39-46)35-34-44-32-30-43(31-33-44)29-28-42-26-22-21-23-27-42/h21-23,26-27,30-33,36-39H,3-20,24-25,40-41H2,1-2H3