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

Systemtic Name: 2-[4-(2-fluoranyl-4-octyl-phenyl)phenyl]-5-heptyl-pyrimidine Openeye Name: 2-[4-(2-fluoro-4-octyl-phenyl)phenyl]-5-heptyl-pyrimidine CAS Name: 2-[4-(2-fluoro-4-octylphenyl)phenyl]-5-heptylpyrimidine IUPAC Name: 2-[4-(2-fluoro-4-octylphenyl)phenyl]-5-heptylpyrimidine Traditional Name: 2-[4-(2-fluoro-4-octyl-phenyl)phenyl]-5-heptyl-pyrimidine Formula: C31H41FN2 MolecularWeight: 460.669043

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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)CCCCCCC)F

Isomeric SMILES

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

InChI

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