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

Systemtic Name: 5-[2,3-bis(fluoranyl)-4-octyl-phenyl]-2-(4-pentylphenyl)pyrimidine Openeye Name: 5-(2,3-difluoro-4-octyl-phenyl)-2-(4-pentylphenyl)pyrimidine CAS Name: 5-(2,3-difluoro-4-octylphenyl)-2-(4-pentylphenyl)pyrimidine IUPAC Name: 5-(2,3-difluoro-4-octylphenyl)-2-(4-pentylphenyl)pyrimidine Traditional Name: 2-(4-amylphenyl)-5-(2,3-difluoro-4-octyl-phenyl)pyrimidine Formula: C29H36F2N2 MolecularWeight: 450.606346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)CCCCC)F)F

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)CCCCC)F)F

InChI

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