Molecule ID: 25137883

IUPAC Name: 2,11,20,28,29,30-hexazaheptacyclo[19.6.1.13,10.112,19.04,9.013,18.022,27]triaconta-1,3,5,7,9,11,13,15,17,19,21(28),22,24,26-tetradecaene

Description: The molecule is a cyclic tripyrrole derivative that consists of three isoindole-type units, with the connecting carbon atoms replaced by nitrogen. The parent of the class of subphthalocyanines. It is a conjugate acid of a subphthalocyaninate(2-).

SMILES: c1ccc2c(c1)-c1nc-2[nH]c2nc(nc3[nH]c(n1)c1ccccc31)-c1ccccc1-2

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

InChI: InChI=1S/C24H14N6/c1-2-8-14-13(7-1)19-25-20(14)29-22-17-11-5-6-12-18(17)24(27-22)30-23-16-10-4-3-9-15(16)21(26-23)28-19/h1-12H,(H2,25,26,27,28,29,30)

Molecular Properties:
- Polar Surface Area: 83.1 Ų
- LogP: 5.0