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

Systemtic Name: 10-isocyano-2,6-bis[(E)-2-[4-[(4-methoxyphenyl)-phenyl-amino]phenyl]ethenyl]anthracene-9-carbonitrile Openeye Name: 10-isocyano-2,6-bis[(E)-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]vinyl]anthracene-9-carbonitrile CAS Name: 10-isocyano-2,6-bis[(E)-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-9-anthracenecarbonitrile IUPAC Name: 10-isocyano-2,6-bis[(E)-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]anthracene-9-carbonitrile Traditional Name: 10-isocyano-2,6-bis[(E)-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]vinyl]anthracene-9-carbonitrile Formula: C58H42N4O2 MolecularWeight: 826.97968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C=CC4=CC5=C(C=C4)C(=C6C=C(C=CC6=C5C#N)C=CC7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=C(C=C9)OC)[N+]#[C-]

Isomeric SMILES

COC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)/C=C/C4=CC5=C(C=C4)C(=C6C=C(C=CC6=C5C#N)/C=C/C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=C(C=C9)OC)[N+]#[C-]

InChI

InChI=1S/C58H42N4O2/c1-60-58-54-37-23-43(16-14-41-18-24-47(25-19-41)61(45-10-6-4-7-11-45)49-28-32-51(63-2)33-29-49)38-55(54)57(40-59)53-36-22-44(39-56(53)58)17-15-42-20-26-48(27-21-42)62(46-12-8-5-9-13-46)50-30-34-52(64-3)35-31-50/h4-39H,2-3H3/b16-14+,17-15+