10-isocyano-2,6-bis[(E)-2-[4-[(4-methoxyphenyl)-naphthalen-1-yl-amino]phenyl]ethenyl]anthracene-9-carbonitrile

Systemtic Name: 10-isocyano-2,6-bis[(E)-2-[4-[(4-methoxyphenyl)-naphthalen-1-yl-amino]phenyl]ethenyl]anthracene-9-carbonitrile Openeye Name: 10-isocyano-2,6-bis[(E)-2-[4-[4-methoxy-N-(1-naphthyl)anilino]phenyl]vinyl]anthracene-9-carbonitrile CAS Name: 10-isocyano-2,6-bis[(E)-2-[4-[4-methoxy-N-(1-naphthalenyl)anilino]phenyl]ethenyl]-9-anthracenecarbonitrile IUPAC Name: 10-isocyano-2,6-bis[(E)-2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]anthracene-9-carbonitrile Traditional Name: 10-isocyano-2,6-bis[(E)-2-[4-[4-methoxy-N-(1-naphthyl)anilino]phenyl]vinyl]anthracene-9-carbonitrile Formula: C66H46N4O2 MolecularWeight: 927.09704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(C2=CC=C(C=C2)C=CC3=CC4=C(C=C3)C(=C5C=C(C=CC5=C4C#N)C=CC6=CC=C(C=C6)N(C7=CC=C(C=C7)OC)C8=CC=CC9=CC=CC=C98)[N+]#[C-])C1=CC=CC2=CC=CC=C21

Isomeric SMILES

COC1=CC=C(C=C1)N(C2=CC=C(C=C2)/C=C/C3=CC4=C(C=C3)C(=C5C=C(C=CC5=C4C#N)/C=C/C6=CC=C(C=C6)N(C7=CC=C(C=C7)OC)C8=CC=CC9=CC=CC=C98)[N+]#[C-])C1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C66H46N4O2/c1-68-66-60-41-27-47(20-18-45-22-28-51(29-23-45)69(53-32-36-55(71-2)37-33-53)64-16-8-12-49-10-4-6-14-57(49)64)42-61(60)63(44-67)59-40-26-48(43-62(59)66)21-19-46-24-30-52(31-25-46)70(54-34-38-56(72-3)39-35-54)65-17-9-13-50-11-5-7-15-58(50)65/h4-43H,2-3H3/b20-18+,21-19+