2,6-bis[(E)-2-[4-[(4-cyclohexylphenyl)-phenyl-amino]phenyl]ethenyl]anthracene-9-carbonitrile

Systemtic Name: 2,6-bis[(E)-2-[4-[(4-cyclohexylphenyl)-phenyl-amino]phenyl]ethenyl]anthracene-9-carbonitrile Openeye Name: 2,6-bis[(E)-2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]vinyl]anthracene-9-carbonitrile CAS Name: 2,6-bis[(E)-2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethenyl]-9-anthracenecarbonitrile IUPAC Name: 2,6-bis[(E)-2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethenyl]anthracene-9-carbonitrile Traditional Name: 2,6-bis[(E)-2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]vinyl]anthracene-9-carbonitrile Formula: C67H59N3 MolecularWeight: 906.20546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC=C(C=C4)C=CC5=CC6=C(C=C5)C(=C7C=C(C=CC7=C6)C=CC8=CC=C(C=C8)N(C9=CC=CC=C9)C1=CC=C(C=C1)C1CCCCC1)C#N

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC=C(C=C4)/C=C/C5=CC6=C(C=C5)C(=C7C=C(C=CC7=C6)/C=C/C8=CC=C(C=C8)N(C9=CC=CC=C9)C1=CC=C(C=C1)C1CCCCC1)C#N

InChI

InChI=1S/C67H59N3/c68-48-67-65-44-30-51(23-21-49-26-36-61(37-27-49)69(59-17-9-3-10-18-59)63-40-32-55(33-41-63)53-13-5-1-6-14-53)45-58(65)47-57-31-25-52(46-66(57)67)24-22-50-28-38-62(39-29-50)70(60-19-11-4-12-20-60)64-42-34-56(35-43-64)54-15-7-2-8-16-54/h3-4,9-12,17-47,53-54H,1-2,5-8,13-16H2/b23-21+,24-22+