9-isocyano-7-[(E)-2-[4-[(4-methoxyphenyl)-phenyl-amino]phenyl]ethenyl]pyrene-4-carbonitrile

Systemtic Name: 9-isocyano-7-[(E)-2-[4-[(4-methoxyphenyl)-phenyl-amino]phenyl]ethenyl]pyrene-4-carbonitrile Openeye Name: 9-isocyano-7-[(E)-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]vinyl]pyrene-4-carbonitrile CAS Name: 9-isocyano-7-[(E)-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-4-pyrenecarbonitrile IUPAC Name: 9-isocyano-7-[(E)-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]pyrene-4-carbonitrile Traditional Name: 9-isocyano-7-[(E)-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]vinyl]pyrene-4-carbonitrile Formula: C39H25N3O MolecularWeight: 551.6353

Click to see the large picture

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=C6C=CC=C7C6=C5C(=C4)C=C7C#N)[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=C6C=CC=C7C6=C5C(=C4)C=C7C#N)[N+]#[C-]

InChI

InChI=1S/C39H25N3O/c1-41-37-24-28-7-6-10-35-30(25-40)23-29-21-27(22-36(37)39(29)38(28)35)12-11-26-13-15-32(16-14-26)42(31-8-4-3-5-9-31)33-17-19-34(43-2)20-18-33/h3-24H,2H3/b12-11+