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

Systemtic Name: 2-[4-(2-fluoranyl-4-octyl-phenyl)phenyl]-5-hexyl-pyrimidine Openeye Name: 2-[4-(2-fluoro-4-octyl-phenyl)phenyl]-5-hexyl-pyrimidine CAS Name: 2-[4-(2-fluoro-4-octylphenyl)phenyl]-5-hexylpyrimidine IUPAC Name: 2-[4-(2-fluoro-4-octylphenyl)phenyl]-5-hexylpyrimidine Traditional Name: 2-[4-(2-fluoro-4-octyl-phenyl)phenyl]-5-hexyl-pyrimidine Formula: C30H39FN2 MolecularWeight: 446.642463

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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)CCCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C30H39FN2/c1-3-5-7-9-10-12-13-24-15-20-28(29(31)21-24)26-16-18-27(19-17-26)30-32-22-25(23-33-30)14-11-8-6-4-2/h15-23H,3-14H2,1-2H3