2,3,6,7,10,11-hexakis[2-(4-ethynylphenyl)ethynyl]triphenylene

Systemtic Name: 2,3,6,7,10,11-hexakis[2-(4-ethynylphenyl)ethynyl]triphenylene Openeye Name: 2,3,6,7,10,11-hexakis[2-(4-ethynylphenyl)ethynyl]triphenylene CAS Name: 2,3,6,7,10,11-hexakis[2-(4-ethynylphenyl)ethynyl]triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis[2-(4-ethynylphenyl)ethynyl]triphenylene Traditional Name: 2,3,6,7,10,11-hexakis[2-(4-ethynylphenyl)ethynyl]triphenylene Formula: C78H36 MolecularWeight: 973.12044

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C#CC2=CC3=C4C=C(C(=CC4=C5C=C(C(=CC5=C3C=C2C#CC6=CC=C(C=C6)C#C)C#CC7=CC=C(C=C7)C#C)C#CC8=CC=C(C=C8)C#C)C#CC9=CC=C(C=C9)C#C)C#CC1=CC=C(C=C1)C#C

Isomeric SMILES

C#CC1=CC=C(C=C1)C#CC2=CC3=C4C=C(C(=CC4=C5C=C(C(=CC5=C3C=C2C#CC6=CC=C(C=C6)C#C)C#CC7=CC=C(C=C7)C#C)C#CC8=CC=C(C=C8)C#C)C#CC9=CC=C(C=C9)C#C)C#CC1=CC=C(C=C1)C#C

InChI

InChI=1S/C78H36/c1-7-55-13-25-61(26-14-55)37-43-67-49-73-74(50-68(67)44-38-62-27-15-56(8-2)16-28-62)76-52-70(46-40-64-31-19-58(10-4)20-32-64)72(48-42-66-35-23-60(12-6)24-36-66)54-78(76)77-53-71(47-41-65-33-21-59(11-5)22-34-65)69(51-75(73)77)45-39-63-29-17-57(9-3)18-30-63/h1-6,13-36,49-54H