2,6-bis[(E)-2-[4-[(4-cyclohexylphenyl)-phenyl-amino]phenyl]ethenyl]-10-isocyano-anthracene-9-carbonitrile

Systemtic Name: 2,6-bis[(E)-2-[4-[(4-cyclohexylphenyl)-phenyl-amino]phenyl]ethenyl]-10-isocyano-anthracene-9-carbonitrile Openeye Name: 2,6-bis[(E)-2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]vinyl]-10-isocyano-anthracene-9-carbonitrile CAS Name: 2,6-bis[(E)-2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethenyl]-10-isocyano-9-anthracenecarbonitrile IUPAC Name: 2,6-bis[(E)-2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethenyl]-10-isocyanoanthracene-9-carbonitrile Traditional Name: 2,6-bis[(E)-2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]vinyl]-10-isocyano-anthracene-9-carbonitrile Formula: C68H58N4 MolecularWeight: 931.21492

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=C2C=C(C=CC2=C(C3=C1C=CC(=C3)C=CC4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=C(C=C6)C7CCCCC7)C#N)C=CC8=CC=C(C=C8)N(C9=CC=CC=C9)C1=CC=C(C=C1)C1CCCCC1

Isomeric SMILES

[C-]#[N+]C1=C2C=C(C=CC2=C(C3=C1C=CC(=C3)/C=C/C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=C(C=C6)C7CCCCC7)C#N)/C=C/C8=CC=C(C=C8)N(C9=CC=CC=C9)C1=CC=C(C=C1)C1CCCCC1

InChI

InChI=1S/C68H58N4/c1-70-68-64-45-31-51(24-22-49-26-36-59(37-27-49)71(57-18-10-4-11-19-57)61-40-32-55(33-41-61)53-14-6-2-7-15-53)46-65(64)67(48-69)63-44-30-52(47-66(63)68)25-23-50-28-38-60(39-29-50)72(58-20-12-5-13-21-58)62-42-34-56(35-43-62)54-16-8-3-9-17-54/h4-5,10-13,18-47,53-54H,2-3,6-9,14-17H2/b24-22+,25-23+