2,6-bis(4-tert-butylphenoxy)-1,4,5,8-tetrakis[(4-cyclohexylphenyl)amino]anthracene-9,10-dione

Systemtic Name: 2,6-bis(4-tert-butylphenoxy)-1,4,5,8-tetrakis[(4-cyclohexylphenyl)amino]anthracene-9,10-dione Openeye Name: 2,6-bis(4-tert-butylphenoxy)-1,4,5,8-tetrakis(4-cyclohexylanilino)anthracene-9,10-dione CAS Name: 2,6-bis(4-tert-butylphenoxy)-1,4,5,8-tetrakis(4-cyclohexylanilino)anthracene-9,10-dione IUPAC Name: 2,6-bis(4-tert-butylphenoxy)-1,4,5,8-tetrakis(4-cyclohexylanilino)anthracene-9,10-dione Traditional Name: 2,6-bis(4-tert-butylphenoxy)-1,4,5,8-tetrakis(4-cyclohexylanilino)-9,10-anthraquinone Formula: C82H92N4O4 MolecularWeight: 1197.63228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(C3=C(C(=C2)NC4=CC=C(C=C4)C5CCCCC5)C(=O)C6=C(C3=O)C(=CC(=C6NC7=CC=C(C=C7)C8CCCCC8)OC9=CC=C(C=C9)C(C)(C)C)NC1=CC=C(C=C1)C1CCCCC1)NC1=CC=C(C=C1)C1CCCCC1

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(C3=C(C(=C2)NC4=CC=C(C=C4)C5CCCCC5)C(=O)C6=C(C3=O)C(=CC(=C6NC7=CC=C(C=C7)C8CCCCC8)OC9=CC=C(C=C9)C(C)(C)C)NC1=CC=C(C=C1)C1CCCCC1)NC1=CC=C(C=C1)C1CCCCC1

InChI

InChI=1S/C82H92N4O4/c1-81(2,3)61-35-47-67(48-36-61)89-71-51-69(83-63-39-27-57(28-40-63)53-19-11-7-12-20-53)73-75(77(71)85-65-43-31-59(32-44-65)55-23-15-9-16-24-55)79(87)74-70(84-64-41-29-58(30-42-64)54-21-13-8-14-22-54)52-72(90-68-49-37-62(38-50-68)82(4,5)6)78(76(74)80(73)88)86-66-45-33-60(34-46-66)56-25-17-10-18-26-56/h27-56,83-86H,7-26H2,1-6H3