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

Systemtic Name: 2,3,6,7,10,11-hexakis(4-dodecylphenyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(4-dodecylphenyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(4-dodecylphenyl)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(4-dodecylphenyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(4-laurylphenyl)triphenylene Formula: C126H180 MolecularWeight: 1694.7774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=C(C=C3C(=C2)C4=CC(=C(C=C4C5=CC(=C(C=C35)C6=CC=C(C=C6)CCCCCCCCCCCC)C7=CC=C(C=C7)CCCCCCCCCCCC)C8=CC=C(C=C8)CCCCCCCCCCCC)C9=CC=C(C=C9)CCCCCCCCCCCC)C1=CC=C(C=C1)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=C(C=C3C(=C2)C4=CC(=C(C=C4C5=CC(=C(C=C35)C6=CC=C(C=C6)CCCCCCCCCCCC)C7=CC=C(C=C7)CCCCCCCCCCCC)C8=CC=C(C=C8)CCCCCCCCCCCC)C9=CC=C(C=C9)CCCCCCCCCCCC)C1=CC=C(C=C1)CCCCCCCCCCCC

InChI

InChI=1S/C126H180/c1-7-13-19-25-31-37-43-49-55-61-67-103-73-85-109(86-74-103)115-97-121-122(98-116(115)110-87-75-104(76-88-110)68-62-56-50-44-38-32-26-20-14-8-2)124-100-118(112-91-79-106(80-92-112)70-64-58-52-46-40-34-28-22-16-10-4)120(114-95-83-108(84-96-114)72-66-60-54-48-42-36-30-24-18-12-6)102-126(124)125-101-119(113-93-81-107(82-94-113)71-65-59-53-47-41-35-29-23-17-11-5)117(99-123(121)125)111-89-77-105(78-90-111)69-63-57-51-45-39-33-27-21-15-9-3/h73-102H,7-72H2,1-6H3