4,4-dimethyl-3,5-bis[3-(2-phenylethynyl)phenyl]pyrazole

Systemtic Name: 4,4-dimethyl-3,5-bis[3-(2-phenylethynyl)phenyl]pyrazole Openeye Name: 4,4-dimethyl-3,5-bis[3-(2-phenylethynyl)phenyl]pyrazole CAS Name: 4,4-dimethyl-3,5-bis[3-(2-phenylethynyl)phenyl]pyrazole IUPAC Name: 4,4-dimethyl-3,5-bis[3-(2-phenylethynyl)phenyl]pyrazole Traditional Name: 4,4-dimethyl-3,5-bis[3-(2-phenylethynyl)phenyl]pyrazole Formula: C33H24N2 MolecularWeight: 448.55706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NN=C1C2=CC=CC(=C2)C#CC3=CC=CC=C3)C4=CC=CC(=C4)C#CC5=CC=CC=C5)C

Isomeric SMILES

CC1(C(=NN=C1C2=CC=CC(=C2)C#CC3=CC=CC=C3)C4=CC=CC(=C4)C#CC5=CC=CC=C5)C

InChI

InChI=1S/C33H24N2/c1-33(2)31(29-17-9-15-27(23-29)21-19-25-11-5-3-6-12-25)34-35-32(33)30-18-10-16-28(24-30)22-20-26-13-7-4-8-14-26/h3-18,23-24H,1-2H3