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

Systemtic Name: 2,6-bis[(E)-2-[4-[(4-cyclohexyloxyphenyl)-phenyl-amino]phenyl]ethenyl]-5-isocyano-naphthalene-1-carbonitrile Openeye Name: 2,6-bis[(E)-2-[4-(N-[4-(cyclohexoxy)phenyl]anilino)phenyl]vinyl]-5-isocyano-naphthalene-1-carbonitrile CAS Name: 2,6-bis[(E)-2-[4-(N-(4-cyclohexyloxyphenyl)anilino)phenyl]ethenyl]-5-isocyano-1-naphthalenecarbonitrile IUPAC Name: 2,6-bis[(E)-2-[4-(N-(4-cyclohexyloxyphenyl)anilino)phenyl]ethenyl]-5-isocyanonaphthalene-1-carbonitrile Traditional Name: 2,6-bis[(E)-2-[4-(N-[4-(cyclohexoxy)phenyl]anilino)phenyl]vinyl]-5-isocyano-naphthalene-1-carbonitrile Formula: C64H56N4O2 MolecularWeight: 913.15504

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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)OC6CCCCC6)C=CC7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=C(C=C9)OC1CCCCC1

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)OC6CCCCC6)/C=C/C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=C(C=C9)OC1CCCCC1

InChI

InChI=1S/C64H56N4O2/c1-66-64-50(29-23-48-26-34-54(35-27-48)68(52-16-8-3-9-17-52)56-38-42-60(43-39-56)70-58-20-12-5-13-21-58)31-44-61-62(64)45-30-49(63(61)46-65)28-22-47-24-32-53(33-25-47)67(51-14-6-2-7-15-51)55-36-40-59(41-37-55)69-57-18-10-4-11-19-57/h2-3,6-9,14-17,22-45,57-58H,4-5,10-13,18-21H2/b28-22+,29-23+