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

Systemtic Name: 3-bromanyl-4-hexyl-1-(4-methylphenyl)-2,5-diphenyl-pyrrole Openeye Name: 3-bromo-4-hexyl-2,5-diphenyl-1-(p-tolyl)pyrrole CAS Name: 3-bromo-4-hexyl-1-(4-methylphenyl)-2,5-diphenylpyrrole IUPAC Name: 3-bromo-4-hexyl-1-(4-methylphenyl)-2,5-diphenylpyrrole Traditional Name: 3-bromo-4-hexyl-2,5-diphenyl-1-(p-tolyl)pyrrole Formula: C29H30BrN MolecularWeight: 472.4592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N(C(=C1Br)C2=CC=CC=C2)C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCCCCCC1=C(N(C(=C1Br)C2=CC=CC=C2)C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C29H30BrN/c1-3-4-5-12-17-26-27(30)29(24-15-10-7-11-16-24)31(25-20-18-22(2)19-21-25)28(26)23-13-8-6-9-14-23/h6-11,13-16,18-21H,3-5,12,17H2,1-2H3