5-isocyano-3,7-bis[(E)-2-[4-[(4-methylphenyl)-phenyl-amino]phenyl]ethenyl]naphthalene-1-carbonitrile

Systemtic Name: 5-isocyano-3,7-bis[(E)-2-[4-[(4-methylphenyl)-phenyl-amino]phenyl]ethenyl]naphthalene-1-carbonitrile Openeye Name: 5-isocyano-3,7-bis[(E)-2-[4-[N-(p-tolyl)anilino]phenyl]vinyl]naphthalene-1-carbonitrile CAS Name: 5-isocyano-3,7-bis[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]-1-naphthalenecarbonitrile IUPAC Name: 5-isocyano-3,7-bis[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]naphthalene-1-carbonitrile Traditional Name: 5-isocyano-3,7-bis[(E)-2-[4-[N-(p-tolyl)anilino]phenyl]vinyl]naphthalene-1-carbonitrile Formula: C54H40N4 MolecularWeight: 744.9222

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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=C(C=C5C(=C4)C#N)C=CC6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=C(C=C8)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=C(C=C5C(=C4)C#N)/C=C/C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=C(C=C8)C)[N+]#[C-]

InChI

InChI=1S/C54H40N4/c1-39-14-26-48(27-15-39)57(46-10-6-4-7-11-46)50-30-22-41(23-31-50)18-20-43-34-45(38-55)52-35-44(37-54(56-3)53(52)36-43)21-19-42-24-32-51(33-25-42)58(47-12-8-5-9-13-47)49-28-16-40(2)17-29-49/h4-37H,1-2H3/b20-18+,21-19+