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

Systemtic Name: 2-[4-[2,3-bis(fluoranyl)-4-hexyl-phenyl]phenyl]-5-heptyl-pyrimidine Openeye Name: 2-[4-(2,3-difluoro-4-hexyl-phenyl)phenyl]-5-heptyl-pyrimidine CAS Name: 2-[4-(2,3-difluoro-4-hexylphenyl)phenyl]-5-heptylpyrimidine IUPAC Name: 2-[4-(2,3-difluoro-4-hexylphenyl)phenyl]-5-heptylpyrimidine Traditional Name: 2-[4-(2,3-difluoro-4-hexyl-phenyl)phenyl]-5-heptyl-pyrimidine Formula: C29H36F2N2 MolecularWeight: 450.606346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)CCCCCC)F)F

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)CCCCCC)F)F

InChI

InChI=1S/C29H36F2N2/c1-3-5-7-9-10-12-22-20-32-29(33-21-22)25-16-14-23(15-17-25)26-19-18-24(27(30)28(26)31)13-11-8-6-4-2/h14-21H,3-13H2,1-2H3