2,5-bis[(E)-2-[4-[(4-tert-butylnaphthalen-1-yl)-phenyl-amino]phenyl]ethenyl]-4-isocyano-benzenecarbonitrile

Systemtic Name: 2,5-bis[(E)-2-[4-[(4-tert-butylnaphthalen-1-yl)-phenyl-amino]phenyl]ethenyl]-4-isocyano-benzenecarbonitrile Openeye Name: 2,5-bis[(E)-2-[4-(N-(4-tert-butyl-1-naphthyl)anilino)phenyl]vinyl]-4-isocyano-benzonitrile CAS Name: 2,5-bis[(E)-2-[4-(N-(4-tert-butyl-1-naphthalenyl)anilino)phenyl]ethenyl]-4-isocyanobenzonitrile IUPAC Name: 2,5-bis[(E)-2-[4-(N-(4-tert-butylnaphthalen-1-yl)anilino)phenyl]ethenyl]-4-isocyanobenzonitrile Traditional Name: 2,5-bis[(E)-2-[4-(N-(4-tert-butyl-1-naphthyl)anilino)phenyl]vinyl]-4-isocyano-benzonitrile Formula: C64H54N4 MolecularWeight: 879.14036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C2=CC=CC=C21)N(C3=CC=CC=C3)C4=CC=C(C=C4)C=CC5=CC(=C(C=C5C#N)C=CC6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=C(C9=CC=CC=C98)C(C)(C)C)[N+]#[C-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C2=CC=CC=C21)N(C3=CC=CC=C3)C4=CC=C(C=C4)/C=C/C5=CC(=C(C=C5C#N)/C=C/C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=C(C9=CC=CC=C98)C(C)(C)C)[N+]#[C-]

InChI

InChI=1S/C64H54N4/c1-63(2,3)58-38-40-61(56-24-16-14-22-54(56)58)67(50-18-10-8-11-19-50)52-34-28-45(29-35-52)26-32-47-43-60(66-7)48(42-49(47)44-65)33-27-46-30-36-53(37-31-46)68(51-20-12-9-13-21-51)62-41-39-59(64(4,5)6)55-23-15-17-25-57(55)62/h8-43H,1-6H3/b32-26+,33-27+