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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)N(C3=CC=CC=C3)C4=CC=C(C=C4)C=CC5=CC6=C(C=C5)C(=C7C=C(C=CC7=C6C#N)C=CC8=CC=C(C=C8)N(C9=CC=CC=C9)C1=CC=C(C2=CC=CC=C21)OC)[N+]#[C-]

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)N(C3=CC=CC=C3)C4=CC=C(C=C4)/C=C/C5=CC6=C(C=C5)C(=C7C=C(C=CC7=C6C#N)/C=C/C8=CC=C(C=C8)N(C9=CC=CC=C9)C1=CC=C(C2=CC=CC=C21)OC)[N+]#[C-]

InChI

InChI=1S/C66H46N4O2/c1-68-66-58-37-31-47(24-22-45-26-32-51(33-27-45)69(49-14-6-4-7-15-49)62-38-40-64(71-2)56-20-12-10-18-54(56)62)42-59(58)61(44-67)53-36-30-48(43-60(53)66)25-23-46-28-34-52(35-29-46)70(50-16-8-5-9-17-50)63-39-41-65(72-3)57-21-13-11-19-55(57)63/h4-43H,2-3H3/b24-22+,25-23+