2-[4-(4-heptylphenyl)phenyl]-5-octyl-pyrimidine

Systemtic Name: 2-[4-(4-heptylphenyl)phenyl]-5-octyl-pyrimidine Openeye Name: 2-[4-(4-heptylphenyl)phenyl]-5-octyl-pyrimidine CAS Name: 2-[4-(4-heptylphenyl)phenyl]-5-octylpyrimidine IUPAC Name: 2-[4-(4-heptylphenyl)phenyl]-5-octylpyrimidine Traditional Name: 2-[4-(4-heptylphenyl)phenyl]-5-octyl-pyrimidine Formula: C31H42N2 MolecularWeight: 442.67858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCCCCC

InChI

InChI=1S/C31H42N2/c1-3-5-7-9-11-13-15-27-24-32-31(33-25-27)30-22-20-29(21-23-30)28-18-16-26(17-19-28)14-12-10-8-6-4-2/h16-25H,3-15H2,1-2H3