1,2,3,4,5,6-hexakis[2-(4-hexylphenyl)ethynyl]benzene

Systemtic Name: 1,2,3,4,5,6-hexakis[2-(4-hexylphenyl)ethynyl]benzene Openeye Name: 1,2,3,4,5,6-hexakis[2-(4-hexylphenyl)ethynyl]benzene CAS Name: 1,2,3,4,5,6-hexakis[2-(4-hexylphenyl)ethynyl]benzene IUPAC Name: 1,2,3,4,5,6-hexakis[2-(4-hexylphenyl)ethynyl]benzene Traditional Name: 1,2,3,4,5,6-hexakis[2-(4-hexylphenyl)ethynyl]benzene Formula: C90H102 MolecularWeight: 1183.77288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C#CC2=C(C(=C(C(=C2C#CC3=CC=C(C=C3)CCCCCC)C#CC4=CC=C(C=C4)CCCCCC)C#CC5=CC=C(C=C5)CCCCCC)C#CC6=CC=C(C=C6)CCCCCC)C#CC7=CC=C(C=C7)CCCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C#CC2=C(C(=C(C(=C2C#CC3=CC=C(C=C3)CCCCCC)C#CC4=CC=C(C=C4)CCCCCC)C#CC5=CC=C(C=C5)CCCCCC)C#CC6=CC=C(C=C6)CCCCCC)C#CC7=CC=C(C=C7)CCCCCC

InChI

InChI=1S/C90H102/c1-7-13-19-25-31-73-37-49-79(50-38-73)61-67-85-86(68-62-80-51-39-74(40-52-80)32-26-20-14-8-2)88(70-64-82-55-43-76(44-56-82)34-28-22-16-10-4)90(72-66-84-59-47-78(48-60-84)36-30-24-18-12-6)89(71-65-83-57-45-77(46-58-83)35-29-23-17-11-5)87(85)69-63-81-53-41-75(42-54-81)33-27-21-15-9-3/h37-60H,7-36H2,1-6H3