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

Systemtic Name: 10-isocyano-2,6-bis[(E)-2-[4-[(4-methylphenyl)-phenyl-amino]phenyl]ethenyl]anthracene-9-carbonitrile Openeye Name: 10-isocyano-2,6-bis[(E)-2-[4-[N-(p-tolyl)anilino]phenyl]vinyl]anthracene-9-carbonitrile CAS Name: 10-isocyano-2,6-bis[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]-9-anthracenecarbonitrile IUPAC Name: 10-isocyano-2,6-bis[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracene-9-carbonitrile Traditional Name: 10-isocyano-2,6-bis[(E)-2-[4-[N-(p-tolyl)anilino]phenyl]vinyl]anthracene-9-carbonitrile Formula: C58H42N4 MolecularWeight: 794.98088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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)C)[N+]#[C-]

Isomeric SMILES

CC1=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)C)[N+]#[C-]

InChI

InChI=1S/C58H42N4/c1-41-14-28-49(29-15-41)61(47-10-6-4-7-11-47)51-32-22-43(23-33-51)18-20-45-27-37-54-55(38-45)57(40-59)53-36-26-46(39-56(53)58(54)60-3)21-19-44-24-34-52(35-25-44)62(48-12-8-5-9-13-48)50-30-16-42(2)17-31-50/h4-39H,1-2H3/b20-18+,21-19+