2,3,6,7,10,11-hexakis(4-hexoxyphenyl)triphenylene

Systemtic Name: 2,3,6,7,10,11-hexakis(4-hexoxyphenyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(4-hexoxyphenyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(4-hexoxyphenyl)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(4-hexoxyphenyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(4-hexoxyphenyl)triphenylene Formula: C90H108O6 MolecularWeight: 1285.81692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=C(C=C3C(=C2)C4=CC(=C(C=C4C5=CC(=C(C=C35)C6=CC=C(C=C6)OCCCCCC)C7=CC=C(C=C7)OCCCCCC)C8=CC=C(C=C8)OCCCCCC)C9=CC=C(C=C9)OCCCCCC)C1=CC=C(C=C1)OCCCCCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=C(C=C3C(=C2)C4=CC(=C(C=C4C5=CC(=C(C=C35)C6=CC=C(C=C6)OCCCCCC)C7=CC=C(C=C7)OCCCCCC)C8=CC=C(C=C8)OCCCCCC)C9=CC=C(C=C9)OCCCCCC)C1=CC=C(C=C1)OCCCCCC

InChI

InChI=1S/C90H108O6/c1-7-13-19-25-55-91-73-43-31-67(32-44-73)79-61-85-86(62-80(79)68-33-45-74(46-34-68)92-56-26-20-14-8-2)88-64-82(70-37-49-76(50-38-70)94-58-28-22-16-10-4)84(72-41-53-78(54-42-72)96-60-30-24-18-12-6)66-90(88)89-65-83(71-39-51-77(52-40-71)95-59-29-23-17-11-5)81(63-87(85)89)69-35-47-75(48-36-69)93-57-27-21-15-9-3/h31-54,61-66H,7-30,55-60H2,1-6H3