2-(2-methyl-4-pentyl-phenyl)-5-phenyl-pyrimidine; pentylbenzene

Systemtic Name: 2-(2-methyl-4-pentyl-phenyl)-5-phenyl-pyrimidine; pentylbenzene Openeye Name: 2-(2-methyl-4-pentyl-phenyl)-5-phenyl-pyrimidine; pentylbenzene CAS Name: 2-(2-methyl-4-pentylphenyl)-5-phenylpyrimidine; pentylbenzene IUPAC Name: 2-(2-methyl-4-pentylphenyl)-5-phenylpyrimidine; pentylbenzene Traditional Name: amylbenzene; 2-(4-amyl-2-methyl-phenyl)-5-phenyl-pyrimidine Formula: C33H40N2 MolecularWeight: 464.6841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=CC=C1.CCCCCC1=CC(=C(C=C1)C2=NC=C(C=N2)C3=CC=CC=C3)C

Isomeric SMILES

CCCCCC1=CC=CC=C1.CCCCCC1=CC(=C(C=C1)C2=NC=C(C=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H24N2.C11H16/c1-3-4-6-9-18-12-13-21(17(2)14-18)22-23-15-20(16-24-22)19-10-7-5-8-11-19;1-2-3-5-8-11-9-6-4-7-10-11/h5,7-8,10-16H,3-4,6,9H2,1-2H3;4,6-7,9-10H,2-3,5,8H2,1H3