5-isocyano-2,6-bis[(E)-2-[4-[(4-methylphenyl)-phenyl-amino]phenyl]ethenyl]naphthalene-1-carbonitrile

Systemtic Name: 5-isocyano-2,6-bis[(E)-2-[4-[(4-methylphenyl)-phenyl-amino]phenyl]ethenyl]naphthalene-1-carbonitrile Openeye Name: 5-isocyano-2,6-bis[(E)-2-[4-[N-(p-tolyl)anilino]phenyl]vinyl]naphthalene-1-carbonitrile CAS Name: 5-isocyano-2,6-bis[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]-1-naphthalenecarbonitrile IUPAC Name: 5-isocyano-2,6-bis[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]naphthalene-1-carbonitrile Traditional Name: 5-isocyano-2,6-bis[(E)-2-[4-[N-(p-tolyl)anilino]phenyl]vinyl]naphthalene-1-carbonitrile Formula: C54H40N4 MolecularWeight: 744.9222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C=CC4=C(C5=C(C=C4)C(=C(C=C5)C=CC6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=C(C=C8)C)[N+]#[C-])C#N

Isomeric SMILES

CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)/C=C/C4=C(C5=C(C=C4)C(=C(C=C5)/C=C/C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=C(C=C8)C)[N+]#[C-])C#N

InChI

InChI=1S/C54H40N4/c1-39-14-28-47(29-15-39)57(45-10-6-4-7-11-45)49-32-20-41(21-33-49)18-24-43-26-37-52-51(53(43)38-55)36-27-44(54(52)56-3)25-19-42-22-34-50(35-23-42)58(46-12-8-5-9-13-46)48-30-16-40(2)17-31-48/h4-37H,1-2H3/b24-18+,25-19+