1-[2-(1-adamantyl)-6-pyren-1-yl-phenyl]pyrene

Systemtic Name: 1-[2-(1-adamantyl)-6-pyren-1-yl-phenyl]pyrene Openeye Name: 1-[2-(1-adamantyl)-6-pyren-1-yl-phenyl]pyrene CAS Name: 1-[2-(1-adamantyl)-6-(1-pyrenyl)phenyl]pyrene IUPAC Name: 1-[2-(1-adamantyl)-6-pyren-1-ylphenyl]pyrene Traditional Name: 1-[2-(1-adamantyl)-6-pyren-1-yl-phenyl]pyrene Formula: C48H36 MolecularWeight: 612.79944

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=CC(=C4C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C9=C1C=CC2=CC=CC3=C2C1=C(C=C3)C=C9

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=CC(=C4C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C9=C1C=CC2=CC=CC3=C2C1=C(C=C3)C=C9

InChI

InChI=1S/C48H36/c1-4-31-10-12-35-14-18-37(39-19-15-33(6-1)43(31)45(35)39)38-8-3-9-42(48-25-28-22-29(26-48)24-30(23-28)27-48)47(38)41-21-17-36-13-11-32-5-2-7-34-16-20-40(41)46(36)44(32)34/h1-21,28-30H,22-27H2