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

Systemtic Name: 2,5-bis[2-[4-[(4-ethoxyphenyl)-phenyl-amino]phenyl]ethynyl]-4-isocyano-benzenecarbonitrile Openeye Name: 2,5-bis[2-[4-(N-(4-ethoxyphenyl)anilino)phenyl]ethynyl]-4-isocyano-benzonitrile CAS Name: 2,5-bis[2-[4-(N-(4-ethoxyphenyl)anilino)phenyl]ethynyl]-4-isocyanobenzonitrile IUPAC Name: 2,5-bis[2-[4-(N-(4-ethoxyphenyl)anilino)phenyl]ethynyl]-4-isocyanobenzonitrile Traditional Name: 4-isocyano-2,5-bis[2-[4-(N-p-phenetylanilino)phenyl]ethynyl]benzonitrile Formula: C52H38N4O2 MolecularWeight: 750.88372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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)OCC)C#N

Isomeric SMILES

CCOC1=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)OCC)C#N

InChI

InChI=1S/C52H38N4O2/c1-4-57-50-32-28-48(29-33-50)55(44-12-8-6-9-13-44)46-24-18-39(19-25-46)16-22-41-37-52(54-3)42(36-43(41)38-53)23-17-40-20-26-47(27-21-40)56(45-14-10-7-11-15-45)49-30-34-51(35-31-49)58-5-2/h6-15,18-21,24-37H,4-5H2,1-2H3