1-[1,6-diphenyl-1,6,6-tris(4-phenylphenyl)hexa-2,4-diynyl]-4-phenyl-benzene

Systemtic Name: 1-[1,6-diphenyl-1,6,6-tris(4-phenylphenyl)hexa-2,4-diynyl]-4-phenyl-benzene Openeye Name: 1-[1,6-diphenyl-1,6,6-tris(4-phenylphenyl)hexa-2,4-diynyl]-4-phenyl-benzene CAS Name: 1-[1,6-diphenyl-1,6,6-tris(4-phenylphenyl)hexa-2,4-diynyl]-4-phenylbenzene IUPAC Name: 1-[1,6-diphenyl-1,6,6-tris(4-phenylphenyl)hexa-2,4-diynyl]-4-phenylbenzene Traditional Name: 1-[1,6-diphenyl-1,6,6-tris(4-phenylphenyl)hexa-2,4-diynyl]-4-phenyl-benzene Formula: C66H46 MolecularWeight: 839.07144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C66H46/c1-7-21-51(22-8-1)55-33-41-61(42-34-55)65(59-29-15-5-16-30-59,62-43-35-56(36-44-62)52-23-9-2-10-24-52)49-19-20-50-66(60-31-17-6-18-32-60,63-45-37-57(38-46-63)53-25-11-3-12-26-53)64-47-39-58(40-48-64)54-27-13-4-14-28-54/h1-18,21-48H