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

Systemtic Name: 2,3,6,7,10,11-hexakis(4-nonylphenyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(4-nonylphenyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(4-nonylphenyl)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(4-nonylphenyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(4-nonylphenyl)triphenylene Formula: C108H144 MolecularWeight: 1442.29896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=C(C=C3C(=C2)C4=CC(=C(C=C4C5=CC(=C(C=C35)C6=CC=C(C=C6)CCCCCCCCC)C7=CC=C(C=C7)CCCCCCCCC)C8=CC=C(C=C8)CCCCCCCCC)C9=CC=C(C=C9)CCCCCCCCC)C1=CC=C(C=C1)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=C(C=C3C(=C2)C4=CC(=C(C=C4C5=CC(=C(C=C35)C6=CC=C(C=C6)CCCCCCCCC)C7=CC=C(C=C7)CCCCCCCCC)C8=CC=C(C=C8)CCCCCCCCC)C9=CC=C(C=C9)CCCCCCCCC)C1=CC=C(C=C1)CCCCCCCCC

InChI

InChI=1S/C108H144/c1-7-13-19-25-31-37-43-49-85-55-67-91(68-56-85)97-79-103-104(80-98(97)92-69-57-86(58-70-92)50-44-38-32-26-20-14-8-2)106-82-100(94-73-61-88(62-74-94)52-46-40-34-28-22-16-10-4)102(96-77-65-90(66-78-96)54-48-42-36-30-24-18-12-6)84-108(106)107-83-101(95-75-63-89(64-76-95)53-47-41-35-29-23-17-11-5)99(81-105(103)107)93-71-59-87(60-72-93)51-45-39-33-27-21-15-9-3/h55-84H,7-54H2,1-6H3