1,4,5,8-tetrakis[(4-cyclohexylphenyl)amino]-2,6-bis(3-methoxyphenoxy)anthracene-9,10-dione

Systemtic Name: 1,4,5,8-tetrakis[(4-cyclohexylphenyl)amino]-2,6-bis(3-methoxyphenoxy)anthracene-9,10-dione Openeye Name: 1,4,5,8-tetrakis(4-cyclohexylanilino)-2,6-bis(3-methoxyphenoxy)anthracene-9,10-dione CAS Name: 1,4,5,8-tetrakis(4-cyclohexylanilino)-2,6-bis(3-methoxyphenoxy)anthracene-9,10-dione IUPAC Name: 1,4,5,8-tetrakis(4-cyclohexylanilino)-2,6-bis(3-methoxyphenoxy)anthracene-9,10-dione Traditional Name: 1,4,5,8-tetrakis(4-cyclohexylanilino)-2,6-bis(3-methoxyphenoxy)-9,10-anthraquinone Formula: C76H80N4O6 MolecularWeight: 1145.4716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=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(=CC=C9)OC)NC1=CC=C(C=C1)C1CCCCC1)NC1=CC=C(C=C1)C1CCCCC1

Isomeric SMILES

COC1=CC=CC(=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(=CC=C9)OC)NC1=CC=C(C=C1)C1CCCCC1)NC1=CC=C(C=C1)C1CCCCC1

InChI

InChI=1S/C76H80N4O6/c1-83-61-25-15-27-63(45-61)85-67-47-65(77-57-37-29-53(30-38-57)49-17-7-3-8-18-49)69-71(73(67)79-59-41-33-55(34-42-59)51-21-11-5-12-22-51)75(81)70-66(78-58-39-31-54(32-40-58)50-19-9-4-10-20-50)48-68(86-64-28-16-26-62(46-64)84-2)74(72(70)76(69)82)80-60-43-35-56(36-44-60)52-23-13-6-14-24-52/h15-16,25-52,77-80H,3-14,17-24H2,1-2H3