5-hexyl-2-[1-(4-methylhexyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]pyrimidine

Systemtic Name: 5-hexyl-2-[1-(4-methylhexyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]pyrimidine Openeye Name: 5-hexyl-2-[1-(4-methylhexyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]pyrimidine CAS Name: 5-hexyl-2-[1-(4-methylhexyl)-4-phenyl-1-cyclohexa-2,5-dienyl]pyrimidine IUPAC Name: 5-hexyl-2-[1-(4-methylhexyl)-4-phenylcyclohexa-2,5-dien-1-yl]pyrimidine Traditional Name: 5-hexyl-2-[1-(4-methylhexyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]pyrimidine Formula: C29H40N2 MolecularWeight: 416.6413

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)CCCC(C)CC

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)CCCC(C)CC

InChI

InChI=1S/C29H40N2/c1-4-6-7-9-14-25-22-30-28(31-23-25)29(19-12-13-24(3)5-2)20-17-27(18-21-29)26-15-10-8-11-16-26/h8,10-11,15-18,20-24,27H,4-7,9,12-14,19H2,1-3H3