Molecule ID: 45479433

IUPAC Name: 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate

Description: The molecule is a dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of chromopyrrolic acid; major microspecies at pH 7.3. It is a conjugate base of a chromopyrrolic acid.

SMILES: O=C([O-])c1[nH]c(C(=O)[O-])c(-c2c[nH]c3ccccc23)c1-c1c[nH]c2ccccc12

SELFIES: [O][=C][Branch1][C][O-1][C][NH1][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Ring1][P][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]

InChI: InChI=1S/C22H15N3O4/c26-21(27)19-17(13-9-23-15-7-3-1-5-11(13)15)18(20(25-19)22(28)29)14-10-24-16-8-4-2-6-12(14)16/h1-10,23-25H,(H,26,27)(H,28,29)/p-2

Molecular Properties:
- Polar Surface Area: 128.0 Ų
- LogP: 5.2