1,3,5-tris[2-[3-(2-phenylethynyl)phenyl]phenyl]benzene

Systemtic Name: 1,3,5-tris[2-[3-(2-phenylethynyl)phenyl]phenyl]benzene Openeye Name: 1,3,5-tris[2-[3-(2-phenylethynyl)phenyl]phenyl]benzene CAS Name: 1,3,5-tris[2-[3-(2-phenylethynyl)phenyl]phenyl]benzene IUPAC Name: 1,3,5-tris[2-[3-(2-phenylethynyl)phenyl]phenyl]benzene Traditional Name: 1,3,5-tris[2-[3-(2-phenylethynyl)phenyl]phenyl]benzene Formula: C66H42 MolecularWeight: 835.03968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC(=CC=C2)C3=CC=CC=C3C4=CC(=CC(=C4)C5=CC=CC=C5C6=CC=CC(=C6)C#CC7=CC=CC=C7)C8=CC=CC=C8C9=CC=CC(=C9)C#CC1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC(=CC=C2)C3=CC=CC=C3C4=CC(=CC(=C4)C5=CC=CC=C5C6=CC=CC(=C6)C#CC7=CC=CC=C7)C8=CC=CC=C8C9=CC=CC(=C9)C#CC1=CC=CC=C1

InChI

InChI=1S/C66H42/c1-4-19-49(20-5-1)37-40-52-25-16-28-55(43-52)61-31-10-13-34-64(61)58-46-59(65-35-14-11-32-62(65)56-29-17-26-53(44-56)41-38-50-21-6-2-7-22-50)48-60(47-58)66-36-15-12-33-63(66)57-30-18-27-54(45-57)42-39-51-23-8-3-9-24-51/h1-36,43-48H