4,8-bis[(4-cyclohexylphenyl)amino]-1,5-bis[(4-methylphenyl)amino]-2,6-diphenoxy-anthracene-9,10-dione

Systemtic Name: 4,8-bis[(4-cyclohexylphenyl)amino]-1,5-bis[(4-methylphenyl)amino]-2,6-diphenoxy-anthracene-9,10-dione Openeye Name: 4,8-bis(4-cyclohexylanilino)-1,5-bis(4-methylanilino)-2,6-diphenoxy-anthracene-9,10-dione CAS Name: 4,8-bis(4-cyclohexylanilino)-1,5-bis(4-methylanilino)-2,6-diphenoxyanthracene-9,10-dione IUPAC Name: 4,8-bis(4-cyclohexylanilino)-1,5-bis(4-methylanilino)-2,6-diphenoxyanthracene-9,10-dione Traditional Name: 4,8-bis(4-cyclohexylanilino)-2,6-diphenoxy-1,5-bis(p-toluidino)-9,10-anthraquinone Formula: C64H60N4O4 MolecularWeight: 949.1856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C=C(C3=C2C(=O)C4=C(C3=O)C(=C(C=C4NC5=CC=C(C=C5)C6CCCCC6)OC7=CC=CC=C7)NC8=CC=C(C=C8)C)NC9=CC=C(C=C9)C1CCCCC1)OC1=CC=CC=C1

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C=C(C3=C2C(=O)C4=C(C3=O)C(=C(C=C4NC5=CC=C(C=C5)C6CCCCC6)OC7=CC=CC=C7)NC8=CC=C(C=C8)C)NC9=CC=C(C=C9)C1CCCCC1)OC1=CC=CC=C1

InChI

InChI=1S/C64H60N4O4/c1-41-23-31-49(32-24-41)67-61-55(71-51-19-11-5-12-20-51)39-53(65-47-35-27-45(28-36-47)43-15-7-3-8-16-43)57-59(61)63(69)58-54(66-48-37-29-46(30-38-48)44-17-9-4-10-18-44)40-56(72-52-21-13-6-14-22-52)62(60(58)64(57)70)68-50-33-25-42(2)26-34-50/h5-6,11-14,19-40,43-44,65-68H,3-4,7-10,15-18H2,1-2H3