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

Systemtic Name: 2-[4-[2,3-bis(fluoranyl)-4-octyl-phenyl]phenyl]-5-hexyl-pyrimidine Openeye Name: 2-[4-(2,3-difluoro-4-octyl-phenyl)phenyl]-5-hexyl-pyrimidine CAS Name: 2-[4-(2,3-difluoro-4-octylphenyl)phenyl]-5-hexylpyrimidine IUPAC Name: 2-[4-(2,3-difluoro-4-octylphenyl)phenyl]-5-hexylpyrimidine Traditional Name: 2-[4-(2,3-difluoro-4-octyl-phenyl)phenyl]-5-hexyl-pyrimidine Formula: C30H38F2N2 MolecularWeight: 464.632926

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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)CCCCCC)F)F

Isomeric SMILES

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

InChI

InChI=1S/C30H38F2N2/c1-3-5-7-9-10-12-14-25-19-20-27(29(32)28(25)31)24-15-17-26(18-16-24)30-33-21-23(22-34-30)13-11-8-6-4-2/h15-22H,3-14H2,1-2H3