1-(1-pyren-1-yl-2-adamantyl)pyrene

Systemtic Name: 1-(1-pyren-1-yl-2-adamantyl)pyrene Openeye Name: 1-(1-pyren-1-yl-2-adamantyl)pyrene CAS Name: 1-[1-(1-pyrenyl)-2-adamantyl]pyrene IUPAC Name: 1-(1-pyren-1-yl-2-adamantyl)pyrene Traditional Name: 1-(1-pyren-1-yl-2-adamantyl)pyrene Formula: C42H32 MolecularWeight: 536.70348

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3C4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)C8=C9C=CC1=CC=CC2=C1C9=C(C=C2)C=C8

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3C4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)C8=C9C=CC1=CC=CC2=C1C9=C(C=C2)C=C8

InChI

InChI=1S/C42H32/c1-3-26-7-9-30-12-16-34(33-15-11-28(5-1)37(26)39(30)33)41-32-20-24-19-25(21-32)23-42(41,22-24)36-18-14-31-10-8-27-4-2-6-29-13-17-35(36)40(31)38(27)29/h1-18,24-25,32,41H,19-23H2