Molecule ID: 5188708

IUPAC Name: 5-[[5-[(5-carboxy-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid

Description: The molecule is a polyalkyl-substituted tripyrrane dicarboxylic acid, a precursor of a porphyrin system. It is a tripyrrane and a dicarboxylic acid.

SMILES: CCc1c(Cc2[nH]c(Cc3[nH]c(C(=O)O)c(C)c3CC)c(CC)c2CC)[nH]c(C(=O)O)c1C

SELFIES: [C][C][C][=C][Branch2][Ring2][#Branch1][C][C][NH1][C][Branch2][Ring1][Branch1][C][C][NH1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][C][C][C][=Ring1][=Branch2][C][C][=C][Branch1][Ring1][C][C][C][=Ring2][Ring1][Ring1][C][C][NH1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][=C][C]

InChI: InChI=1S/C26H35N3O4/c1-7-15-13(5)23(25(30)31)28-19(15)11-21-17(9-3)18(10-4)22(27-21)12-20-16(8-2)14(6)24(29-20)26(32)33/h27-29H,7-12H2,1-6H3,(H,30,31)(H,32,33)

Molecular Properties:
- Polar Surface Area: 122.0 Ų
- LogP: 5.9