2-(5-methyl-4-octyl-1H-pyrrol-2-yl)-5-[5-(3-methylphenyl)-3-octyl-1H-pyrrol-2-yl]-3-octyl-1H-pyrrole

Systemtic Name: 2-(5-methyl-4-octyl-1H-pyrrol-2-yl)-5-[5-(3-methylphenyl)-3-octyl-1H-pyrrol-2-yl]-3-octyl-1H-pyrrole Openeye Name: 2-(5-methyl-4-octyl-1H-pyrrol-2-yl)-5-[5-(m-tolyl)-3-octyl-1H-pyrrol-2-yl]-3-octyl-1H-pyrrole CAS Name: 2-(5-methyl-4-octyl-1H-pyrrol-2-yl)-5-[5-(3-methylphenyl)-3-octyl-1H-pyrrol-2-yl]-3-octyl-1H-pyrrole IUPAC Name: 2-(5-methyl-4-octyl-1H-pyrrol-2-yl)-5-[5-(3-methylphenyl)-3-octyl-1H-pyrrol-2-yl]-3-octyl-1H-pyrrole Traditional Name: 2-(5-methyl-4-octyl-1H-pyrrol-2-yl)-5-[5-(m-tolyl)-3-octyl-1H-pyrrol-2-yl]-3-octyl-1H-pyrrole Formula: C44H67N3 MolecularWeight: 638.02288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(NC(=C1)C2=C(C=C(N2)C3=C(C=C(N3)C4=CC(=CC=C4)C)CCCCCCCC)CCCCCCCC)C

Isomeric SMILES

CCCCCCCCC1=C(NC(=C1)C2=C(C=C(N2)C3=C(C=C(N3)C4=CC(=CC=C4)C)CCCCCCCC)CCCCCCCC)C

InChI

InChI=1S/C44H67N3/c1-6-9-12-15-18-21-26-36-31-41(45-35(36)5)43-39(28-23-20-17-14-11-8-3)33-42(47-43)44-38(27-22-19-16-13-10-7-2)32-40(46-44)37-29-24-25-34(4)30-37/h24-25,29-33,45-47H,6-23,26-28H2,1-5H3