2,5-bis[(E)-2-[4-[(3-tert-butylphenyl)-phenyl-amino]phenyl]ethenyl]-4-isocyano-benzenecarbonitrile

Systemtic Name: 2,5-bis[(E)-2-[4-[(3-tert-butylphenyl)-phenyl-amino]phenyl]ethenyl]-4-isocyano-benzenecarbonitrile Openeye Name: 2,5-bis[(E)-2-[4-(N-(3-tert-butylphenyl)anilino)phenyl]vinyl]-4-isocyano-benzonitrile CAS Name: 2,5-bis[(E)-2-[4-(N-(3-tert-butylphenyl)anilino)phenyl]ethenyl]-4-isocyanobenzonitrile IUPAC Name: 2,5-bis[(E)-2-[4-(N-(3-tert-butylphenyl)anilino)phenyl]ethenyl]-4-isocyanobenzonitrile Traditional Name: 2,5-bis[(E)-2-[4-(N-(3-tert-butylphenyl)anilino)phenyl]vinyl]-4-isocyano-benzonitrile Formula: C56H50N4 MolecularWeight: 779.023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C=CC4=CC(=C(C=C4C#N)C=CC5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC(=C7)C(C)(C)C)[N+]#[C-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)/C=C/C4=CC(=C(C=C4C#N)/C=C/C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC(=C7)C(C)(C)C)[N+]#[C-]

InChI

InChI=1S/C56H50N4/c1-55(2,3)46-16-14-22-52(38-46)59(48-18-10-8-11-19-48)50-32-26-41(27-33-50)24-30-43-37-54(58-7)44(36-45(43)40-57)31-25-42-28-34-51(35-29-42)60(49-20-12-9-13-21-49)53-23-15-17-47(39-53)56(4,5)6/h8-39H,1-6H3/b30-24+,31-25+