3-hexyl-1-(4-methylphenyl)-2,5-diphenyl-pyrrole

Systemtic Name: 3-hexyl-1-(4-methylphenyl)-2,5-diphenyl-pyrrole Openeye Name: 3-hexyl-2,5-diphenyl-1-(p-tolyl)pyrrole CAS Name: 3-hexyl-1-(4-methylphenyl)-2,5-diphenylpyrrole IUPAC Name: 3-hexyl-1-(4-methylphenyl)-2,5-diphenylpyrrole Traditional Name: 3-hexyl-2,5-diphenyl-1-(p-tolyl)pyrrole Formula: C29H31N MolecularWeight: 393.56314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N(C(=C1)C2=CC=CC=C2)C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCCCCCC1=C(N(C(=C1)C2=CC=CC=C2)C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C29H31N/c1-3-4-5-8-17-26-22-28(24-13-9-6-10-14-24)30(27-20-18-23(2)19-21-27)29(26)25-15-11-7-12-16-25/h6-7,9-16,18-22H,3-5,8,17H2,1-2H3