4-isocyano-2,5-bis[2-[4-[(4-methylphenyl)-phenyl-amino]phenyl]ethynyl]benzenecarbonitrile

Systemtic Name: 4-isocyano-2,5-bis[2-[4-[(4-methylphenyl)-phenyl-amino]phenyl]ethynyl]benzenecarbonitrile Openeye Name: 4-isocyano-2,5-bis[2-[4-[N-(p-tolyl)anilino]phenyl]ethynyl]benzonitrile CAS Name: 4-isocyano-2,5-bis[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethynyl]benzonitrile IUPAC Name: 4-isocyano-2,5-bis[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethynyl]benzonitrile Traditional Name: 4-isocyano-2,5-bis[2-[4-[N-(p-tolyl)anilino]phenyl]ethynyl]benzonitrile Formula: C50H34N4 MolecularWeight: 690.83176

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=CC(=C(C=C4[N+]#[C-])C#CC5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=C(C=C7)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C#CC4=CC(=C(C=C4[N+]#[C-])C#CC5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=C(C=C7)C)C#N

InChI

InChI=1S/C50H34N4/c1-37-14-26-46(27-15-37)53(44-10-6-4-7-11-44)48-30-20-39(21-31-48)18-24-41-35-50(52-3)42(34-43(41)36-51)25-19-40-22-32-49(33-23-40)54(45-12-8-5-9-13-45)47-28-16-38(2)17-29-47/h4-17,20-23,26-35H,1-2H3