2,8-bis(1-adamantyl)-5,11-bis[4-(1-adamantyl)phenyl]-6,12-diphenyl-tetracene

Systemtic Name: 2,8-bis(1-adamantyl)-5,11-bis[4-(1-adamantyl)phenyl]-6,12-diphenyl-tetracene Openeye Name: 2,8-bis(1-adamantyl)-5,11-bis[4-(1-adamantyl)phenyl]-6,12-diphenyl-tetracene CAS Name: 2,8-bis(1-adamantyl)-5,11-bis[4-(1-adamantyl)phenyl]-6,12-diphenyltetracene IUPAC Name: 2,8-bis(1-adamantyl)-5,11-bis[4-(1-adamantyl)phenyl]-6,12-diphenyltetracene Traditional Name: 2,8-bis(1-adamantyl)-5,11-bis[4-(1-adamantyl)phenyl]-6,12-diphenyl-tetracene Formula: C82H84 MolecularWeight: 1069.54436

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)C5=C6C(=C7C=C(C=CC7=C(C6=C(C8=C5C=CC(=C8)C91CC2CC(C9)CC(C2)C1)C1=CC=CC=C1)C1=CC=C(C=C1)C12CC3CC(C1)CC(C3)C2)C12CC3CC(C1)CC(C3)C2)C1=CC=CC=C1

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)C5=C6C(=C7C=C(C=CC7=C(C6=C(C8=C5C=CC(=C8)C91CC2CC(C9)CC(C2)C1)C1=CC=CC=C1)C1=CC=C(C=C1)C12CC3CC(C1)CC(C3)C2)C12CC3CC(C1)CC(C3)C2)C1=CC=CC=C1

InChI

InChI=1S/C82H84/c1-3-7-61(8-4-1)75-71-35-67(81-43-55-29-56(44-81)31-57(30-55)45-81)19-21-69(71)74(64-13-17-66(18-14-64)80-40-52-26-53(41-80)28-54(27-52)42-80)78-76(62-9-5-2-6-10-62)72-36-68(82-46-58-32-59(47-82)34-60(33-58)48-82)20-22-70(72)73(77(75)78)63-11-15-65(16-12-63)79-37-49-23-50(38-79)25-51(24-49)39-79/h1-22,35-36,49-60H,23-34,37-48H2