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

Systemtic Name: 2-[4-[2,3-bis(fluoranyl)-4-heptyl-phenyl]phenyl]-5-heptyl-pyrimidine Openeye Name: 2-[4-(2,3-difluoro-4-heptyl-phenyl)phenyl]-5-heptyl-pyrimidine CAS Name: 2-[4-(2,3-difluoro-4-heptylphenyl)phenyl]-5-heptylpyrimidine IUPAC Name: 2-[4-(2,3-difluoro-4-heptylphenyl)phenyl]-5-heptylpyrimidine Traditional Name: 2-[4-(2,3-difluoro-4-heptyl-phenyl)phenyl]-5-heptyl-pyrimidine Formula: C30H38F2N2 MolecularWeight: 464.632926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCC)F)F

Isomeric SMILES

CCCCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCC)F)F

InChI

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