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

Systemtic Name: 2-[4-[2,3-bis(fluoranyl)-4-hexyl-phenyl]phenyl]-5-hexyl-pyrimidine Openeye Name: 2-[4-(2,3-difluoro-4-hexyl-phenyl)phenyl]-5-hexyl-pyrimidine CAS Name: 2-[4-(2,3-difluoro-4-hexylphenyl)phenyl]-5-hexylpyrimidine IUPAC Name: 2-[4-(2,3-difluoro-4-hexylphenyl)phenyl]-5-hexylpyrimidine Traditional Name: 2-[4-(2,3-difluoro-4-hexyl-phenyl)phenyl]-5-hexyl-pyrimidine Formula: C28H34F2N2 MolecularWeight: 436.579766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC)F)F

Isomeric SMILES

CCCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC)F)F

InChI

InChI=1S/C28H34F2N2/c1-3-5-7-9-11-21-19-31-28(32-20-21)24-15-13-22(14-16-24)25-18-17-23(26(29)27(25)30)12-10-8-6-4-2/h13-20H,3-12H2,1-2H3