3-(4-hexylphenyl)-6-(4-pentylphenyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-(4-hexylphenyl)-6-(4-pentylphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-hexylphenyl)-6-(4-pentylphenyl)phthalonitrile CAS Name: 3-(4-hexylphenyl)-6-(4-pentylphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-hexylphenyl)-6-(4-pentylphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-amylphenyl)-6-(4-hexylphenyl)phthalonitrile Formula: C31H34N2 MolecularWeight: 434.61506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)CCCCC)C#N)C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)CCCCC)C#N)C#N

InChI

InChI=1S/C31H34N2/c1-3-5-7-9-11-25-14-18-27(19-15-25)29-21-20-28(30(22-32)31(29)23-33)26-16-12-24(13-17-26)10-8-6-4-2/h12-21H,3-11H2,1-2H3