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

Systemtic Name: 2,6-bis[(E)-2-[4-[(4-cyclohexyloxyphenyl)-phenyl-amino]phenyl]ethenyl]anthracene-9-carbonitrile Openeye Name: 2,6-bis[(E)-2-[4-(N-[4-(cyclohexoxy)phenyl]anilino)phenyl]vinyl]anthracene-9-carbonitrile CAS Name: 2,6-bis[(E)-2-[4-(N-(4-cyclohexyloxyphenyl)anilino)phenyl]ethenyl]-9-anthracenecarbonitrile IUPAC Name: 2,6-bis[(E)-2-[4-(N-(4-cyclohexyloxyphenyl)anilino)phenyl]ethenyl]anthracene-9-carbonitrile Traditional Name: 2,6-bis[(E)-2-[4-(N-[4-(cyclohexoxy)phenyl]anilino)phenyl]vinyl]anthracene-9-carbonitrile Formula: C67H59N3O2 MolecularWeight: 938.20426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC2=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)OC1CCCCC1)C#N

Isomeric SMILES

C1CCC(CC1)OC2=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)OC1CCCCC1)C#N

InChI

InChI=1S/C67H59N3O2/c68-48-67-65-44-30-51(23-21-49-26-32-57(33-27-49)69(55-13-5-1-6-14-55)59-36-40-63(41-37-59)71-61-17-9-3-10-18-61)45-54(65)47-53-31-25-52(46-66(53)67)24-22-50-28-34-58(35-29-50)70(56-15-7-2-8-16-56)60-38-42-64(43-39-60)72-62-19-11-4-12-20-62/h1-2,5-8,13-16,21-47,61-62H,3-4,9-12,17-20H2/b23-21+,24-22+