2,6-bis[(E)-2-[4-[(4-cyclohexylphenyl)-phenyl-amino]phenyl]ethenyl]-5-isocyano-naphthalene-1-carbonitrile

Systemtic Name: 2,6-bis[(E)-2-[4-[(4-cyclohexylphenyl)-phenyl-amino]phenyl]ethenyl]-5-isocyano-naphthalene-1-carbonitrile Openeye Name: 2,6-bis[(E)-2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]vinyl]-5-isocyano-naphthalene-1-carbonitrile CAS Name: 2,6-bis[(E)-2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethenyl]-5-isocyano-1-naphthalenecarbonitrile IUPAC Name: 2,6-bis[(E)-2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethenyl]-5-isocyanonaphthalene-1-carbonitrile Traditional Name: 2,6-bis[(E)-2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]vinyl]-5-isocyano-naphthalene-1-carbonitrile Formula: C64H56N4 MolecularWeight: 881.15624

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=C(C=CC2=C1C=CC(=C2C#N)C=CC3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)C6CCCCC6)C=CC7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=C(C=C9)C1CCCCC1

Isomeric SMILES

[C-]#[N+]C1=C(C=CC2=C1C=CC(=C2C#N)/C=C/C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)C6CCCCC6)/C=C/C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=C(C=C9)C1CCCCC1

InChI

InChI=1S/C64H56N4/c1-66-64-54(29-23-48-26-38-58(39-27-48)68(56-20-12-5-13-21-56)60-42-32-52(33-43-60)50-16-8-3-9-17-50)35-44-61-62(64)45-34-53(63(61)46-65)28-22-47-24-36-57(37-25-47)67(55-18-10-4-11-19-55)59-40-30-51(31-41-59)49-14-6-2-7-15-49/h4-5,10-13,18-45,49-50H,2-3,6-9,14-17H2/b28-22+,29-23+