2-[4-[2,3-bis(fluoranyl)-4-octyl-phenyl]phenyl]-5-heptyl-pyrimidine

Systemtic Name: 2-[4-[2,3-bis(fluoranyl)-4-octyl-phenyl]phenyl]-5-heptyl-pyrimidine Openeye Name: 2-[4-(2,3-difluoro-4-octyl-phenyl)phenyl]-5-heptyl-pyrimidine CAS Name: 2-[4-(2,3-difluoro-4-octylphenyl)phenyl]-5-heptylpyrimidine IUPAC Name: 2-[4-(2,3-difluoro-4-octylphenyl)phenyl]-5-heptylpyrimidine Traditional Name: 2-[4-(2,3-difluoro-4-octyl-phenyl)phenyl]-5-heptyl-pyrimidine Formula: C31H40F2N2 MolecularWeight: 478.659506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H40F2N2/c1-3-5-7-9-11-13-15-26-20-21-28(30(33)29(26)32)25-16-18-27(19-17-25)31-34-22-24(23-35-31)14-12-10-8-6-4-2/h16-23H,3-15H2,1-2H3