1,7-bis(1-adamantyl)-3,9-bis(bromanyl)perylene

Systemtic Name: 1,7-bis(1-adamantyl)-3,9-bis(bromanyl)perylene Openeye Name: 1,7-bis(1-adamantyl)-3,9-dibromo-perylene CAS Name: 1,7-bis(1-adamantyl)-3,9-dibromoperylene IUPAC Name: 1,7-bis(1-adamantyl)-3,9-dibromoperylene Traditional Name: 1,7-bis(1-adamantyl)-3,9-dibromo-perylene Formula: C40H38Br2 MolecularWeight: 678.53772

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C5C6=C7C(=CC=C6)C(=CC(=C7C8=C5C(=CC=C8)C(=C4)Br)C91CC2CC(C9)CC(C2)C1)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C5C6=C7C(=CC=C6)C(=CC(=C7C8=C5C(=CC=C8)C(=C4)Br)C91CC2CC(C9)CC(C2)C1)Br

InChI

InChI=1S/C40H38Br2/c41-33-13-32(40-18-24-10-25(19-40)12-26(11-24)20-40)38-30-6-2-4-28-34(42)14-31(37(36(28)30)29-5-1-3-27(33)35(29)38)39-15-21-7-22(16-39)9-23(8-21)17-39/h1-6,13-14,21-26H,7-12,15-20H2