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

Systemtic Name: 2,5-bis[(E)-2-[4-[(4-tert-butylphenyl)-naphthalen-1-yl-amino]phenyl]ethenyl]-4-isocyano-benzenecarbonitrile Openeye Name: 2,5-bis[(E)-2-[4-[4-tert-butyl-N-(1-naphthyl)anilino]phenyl]vinyl]-4-isocyano-benzonitrile CAS Name: 2,5-bis[(E)-2-[4-[4-tert-butyl-N-(1-naphthalenyl)anilino]phenyl]ethenyl]-4-isocyanobenzonitrile IUPAC Name: 2,5-bis[(E)-2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]-4-isocyanobenzonitrile Traditional Name: 2,5-bis[(E)-2-[4-[4-tert-butyl-N-(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(C=C1)N(C2=CC=C(C=C2)C=CC3=CC(=C(C=C3C#N)C=CC4=CC=C(C=C4)N(C5=CC=C(C=C5)C(C)(C)C)C6=CC=CC7=CC=CC=C76)[N+]#[C-])C8=CC=CC9=CC=CC=C98

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N(C2=CC=C(C=C2)/C=C/C3=CC(=C(C=C3C#N)/C=C/C4=CC=C(C=C4)N(C5=CC=C(C=C5)C(C)(C)C)C6=CC=CC7=CC=CC=C76)[N+]#[C-])C8=CC=CC9=CC=CC=C98

InChI

InChI=1S/C64H54N4/c1-63(2,3)52-30-38-56(39-31-52)67(61-20-12-16-47-14-8-10-18-58(47)61)54-34-24-45(25-35-54)22-28-49-43-60(66-7)50(42-51(49)44-65)29-23-46-26-36-55(37-27-46)68(57-40-32-53(33-41-57)64(4,5)6)62-21-13-17-48-15-9-11-19-59(48)62/h8-43H,1-6H3/b28-22+,29-23+