1,4-bis[4,4-dimethyl-1-[2-(2-phenylethynyl)phenyl]pent-1-yn-3-yl]benzene

Systemtic Name: 1,4-bis[4,4-dimethyl-1-[2-(2-phenylethynyl)phenyl]pent-1-yn-3-yl]benzene Openeye Name: 1,4-bis[1-tert-butyl-3-[2-(2-phenylethynyl)phenyl]prop-2-ynyl]benzene CAS Name: 1,4-bis[4,4-dimethyl-1-[2-(2-phenylethynyl)phenyl]pent-1-yn-3-yl]benzene IUPAC Name: 1,4-bis[4,4-dimethyl-1-[2-(2-phenylethynyl)phenyl]pent-1-yn-3-yl]benzene Traditional Name: 1,4-bis[1-tert-butyl-3-[2-(2-phenylethynyl)phenyl]prop-2-ynyl]benzene Formula: C48H42 MolecularWeight: 618.84708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C#CC1=CC=CC=C1C#CC2=CC=CC=C2)C3=CC=C(C=C3)C(C#CC4=CC=CC=C4C#CC5=CC=CC=C5)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(C#CC1=CC=CC=C1C#CC2=CC=CC=C2)C3=CC=C(C=C3)C(C#CC4=CC=CC=C4C#CC5=CC=CC=C5)C(C)(C)C

InChI

InChI=1S/C48H42/c1-47(2,3)45(35-33-41-23-15-13-21-39(41)27-25-37-17-9-7-10-18-37)43-29-31-44(32-30-43)46(48(4,5)6)36-34-42-24-16-14-22-40(42)28-26-38-19-11-8-12-20-38/h7-24,29-32,45-46H,1-6H3