1,7-bis(2-adamantyloxy)-N3,N9-bis(4-methylphenyl)perylene-3,9-diamine

Systemtic Name: 1,7-bis(2-adamantyloxy)-N3,N9-bis(4-methylphenyl)perylene-3,9-diamine Openeye Name: 1,7-bis(2-adamantyloxy)-N3,N9-bis(p-tolyl)perylene-3,9-diamine CAS Name: 1,7-bis(2-adamantyloxy)-N3,N9-bis(4-methylphenyl)perylene-3,9-diamine IUPAC Name: 1,7-bis(2-adamantyloxy)-3-N,9-N-bis(4-methylphenyl)perylene-3,9-diamine Traditional Name: [1,7-bis(2-adamantyloxy)-9-(p-toluidino)perylen-3-yl]-(p-tolyl)amine Formula: C54H54N2O2 MolecularWeight: 763.01876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=CC(=C3C4=C5C(=CC=C4)C(=CC(=C5C6=C3C2=CC=C6)OC7C8CC9CC(C8)CC7C9)NC1=CC=C(C=C1)C)OC1C2CC3CC(C2)CC1C3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=CC(=C3C4=C5C(=CC=C4)C(=CC(=C5C6=C3C2=CC=C6)OC7C8CC9CC(C8)CC7C9)NC1=CC=C(C=C1)C)OC1C2CC3CC(C2)CC1C3

InChI

InChI=1S/C54H54N2O2/c1-29-9-13-39(14-10-29)55-45-27-47(57-53-35-19-31-17-32(21-35)22-36(53)20-31)51-44-8-4-6-42-46(56-40-15-11-30(2)12-16-40)28-48(52(50(42)44)43-7-3-5-41(45)49(43)51)58-54-37-23-33-18-34(25-37)26-38(54)24-33/h3-16,27-28,31-38,53-56H,17-26H2,1-2H3