Molecule ID: 86280045

IUPAC Name: 2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene

Description: The molecule is a tetrapyrrole fundamental parent that consists of four isoindole-type units, with the connecting carbon atoms in the macrocycle replaced by nitrogen. It is a tetrapyrrole fundamental parent and a member of phthalocyanines.

SMILES: c1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc([nH]c4nc(n1)-c1ccccc1-4)-c1ccccc1-3)c1ccccc21

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

InChI: InChI=1S/C32H18N8/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25/h1-16H,(H2,33,34,35,36,37,38,39,40)

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: 6.4