5-butyl-2-[4-(2-fluoranyl-4-octyl-phenyl)phenyl]pyrimidine

Systemtic Name: 5-butyl-2-[4-(2-fluoranyl-4-octyl-phenyl)phenyl]pyrimidine Openeye Name: 5-butyl-2-[4-(2-fluoro-4-octyl-phenyl)phenyl]pyrimidine CAS Name: 5-butyl-2-[4-(2-fluoro-4-octylphenyl)phenyl]pyrimidine IUPAC Name: 5-butyl-2-[4-(2-fluoro-4-octylphenyl)phenyl]pyrimidine Traditional Name: 5-butyl-2-[4-(2-fluoro-4-octyl-phenyl)phenyl]pyrimidine Formula: C28H35FN2 MolecularWeight: 418.589303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)CCCC)F

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)CCCC)F

InChI

InChI=1S/C28H35FN2/c1-3-5-7-8-9-10-12-22-13-18-26(27(29)19-22)24-14-16-25(17-15-24)28-30-20-23(21-31-28)11-6-4-2/h13-21H,3-12H2,1-2H3