1,3,5-tris(3,3,3-triphenylprop-1-ynyl)benzene

Systemtic Name: 1,3,5-tris(3,3,3-triphenylprop-1-ynyl)benzene Openeye Name: 1,3,5-tris(3,3,3-triphenylprop-1-ynyl)benzene CAS Name: 1,3,5-tris(3,3,3-triphenylprop-1-ynyl)benzene IUPAC Name: 1,3,5-tris(3,3,3-triphenylprop-1-ynyl)benzene Traditional Name: 1,3,5-tris(3,3,3-triphenylprop-1-ynyl)benzene Formula: C69H48 MolecularWeight: 877.11942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#CC2=CC(=CC(=C2)C#CC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C#CC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)C(C#CC2=CC(=CC(=C2)C#CC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C#CC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1

InChI

InChI=1S/C69H48/c1-10-28-58(29-11-1)67(59-30-12-2-13-31-59,60-32-14-3-15-33-60)49-46-55-52-56(47-50-68(61-34-16-4-17-35-61,62-36-18-5-19-37-62)63-38-20-6-21-39-63)54-57(53-55)48-51-69(64-40-22-7-23-41-64,65-42-24-8-25-43-65)66-44-26-9-27-45-66/h1-45,52-54H