5-decyl-2-[4-(3-fluoranyl-2-octyl-3H-1-benzofuran-2-yl)phenyl]pyrimidine

Systemtic Name: 5-decyl-2-[4-(3-fluoranyl-2-octyl-3H-1-benzofuran-2-yl)phenyl]pyrimidine Openeye Name: 5-decyl-2-[4-(3-fluoro-2-octyl-3H-benzofuran-2-yl)phenyl]pyrimidine CAS Name: 5-decyl-2-[4-(3-fluoro-2-octyl-3H-benzofuran-2-yl)phenyl]pyrimidine IUPAC Name: 5-decyl-2-[4-(3-fluoro-2-octyl-3H-1-benzofuran-2-yl)phenyl]pyrimidine Traditional Name: 5-decyl-2-[4-(3-fluoro-2-octyl-coumaran-2-yl)phenyl]pyrimidine Formula: C36H49FN2O MolecularWeight: 544.785463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3(C(C4=CC=CC=C4O3)F)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3(C(C4=CC=CC=C4O3)F)CCCCCCCC

InChI

InChI=1S/C36H49FN2O/c1-3-5-7-9-11-12-13-15-19-29-27-38-35(39-28-29)30-22-24-31(25-23-30)36(26-18-14-10-8-6-4-2)34(37)32-20-16-17-21-33(32)40-36/h16-17,20-25,27-28,34H,3-15,18-19,26H2,1-2H3