2-butyl-4,6-bis[4-(2-phenylethynyl)phenyl]pyrimidine

Systemtic Name: 2-butyl-4,6-bis[4-(2-phenylethynyl)phenyl]pyrimidine Openeye Name: 2-butyl-4,6-bis[4-(2-phenylethynyl)phenyl]pyrimidine CAS Name: 2-butyl-4,6-bis[4-(2-phenylethynyl)phenyl]pyrimidine IUPAC Name: 2-butyl-4,6-bis[4-(2-phenylethynyl)phenyl]pyrimidine Traditional Name: 2-butyl-4,6-bis[4-(2-phenylethynyl)phenyl]pyrimidine Formula: C36H28N2 MolecularWeight: 488.62092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CC(=N1)C2=CC=C(C=C2)C#CC3=CC=CC=C3)C4=CC=C(C=C4)C#CC5=CC=CC=C5

Isomeric SMILES

CCCCC1=NC(=CC(=N1)C2=CC=C(C=C2)C#CC3=CC=CC=C3)C4=CC=C(C=C4)C#CC5=CC=CC=C5

InChI

InChI=1S/C36H28N2/c1-2-3-14-36-37-34(32-23-19-30(20-24-32)17-15-28-10-6-4-7-11-28)27-35(38-36)33-25-21-31(22-26-33)18-16-29-12-8-5-9-13-29/h4-13,19-27H,2-3,14H2,1H3