2-(3-fluoranyl-4-heptyl-phenyl)-5-(4-octylphenyl)pyrimidine

Systemtic Name: 2-(3-fluoranyl-4-heptyl-phenyl)-5-(4-octylphenyl)pyrimidine Openeye Name: 2-(3-fluoro-4-heptyl-phenyl)-5-(4-octylphenyl)pyrimidine CAS Name: 2-(3-fluoro-4-heptylphenyl)-5-(4-octylphenyl)pyrimidine IUPAC Name: 2-(3-fluoro-4-heptylphenyl)-5-(4-octylphenyl)pyrimidine Traditional Name: 2-(3-fluoro-4-heptyl-phenyl)-5-(4-octylphenyl)pyrimidine Formula: C31H41FN2 MolecularWeight: 460.669043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC(=C(C=C3)CCCCCCC)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC(=C(C=C3)CCCCCCC)F

InChI

InChI=1S/C31H41FN2/c1-3-5-7-9-11-12-14-25-16-18-26(19-17-25)29-23-33-31(34-24-29)28-21-20-27(30(32)22-28)15-13-10-8-6-4-2/h16-24H,3-15H2,1-2H3