Molecule ID: 135899466

IUPAC Name: 2,11,20,29,38,46,47,48,49,50-decazaundecacyclo[37.6.1.13,10.112,19.121,28.130,37.04,9.013,18.022,27.031,36.040,45]pentaconta-1,3,5,7,9,11,13,15,17,19(49),20,22,24,26,28,30(47),31,33,35,37,39(46),40,42,44-tetracosaene

Description: The molecule is a cyclic pentapyrrole derivative that consists of five isoindole-type units, with the connecting carbon atoms replaced by nitrogen. The parent of the class of superphthalocyanines.

SMILES: c1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4nc([nH]c5nc(n1)-c1ccccc1-5)-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][Branch1][=Branch2][N][=C][N][=C][Branch2][Ring2][#Branch1][N][=C][N][=C][Branch2][Ring1][Branch1][NH1][C][=N][C][=Branch1][Branch1][=N][Ring2][Ring1][Ring2][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][Ring1][=Branch1][Ring2][Ring1][=C][=C][C][=C][C][=C][C][=Ring2][Ring2][Branch2][Ring1][=Branch1]

InChI: InChI=1S/C40H22N10/c1-2-12-22-21(11-1)31-41-32(22)47-34-25-15-5-6-16-26(25)36(43-34)49-38-29-19-9-10-20-30(29)40(45-38)50-39-28-18-8-7-17-27(28)37(44-39)48-35-24-14-4-3-13-23(24)33(42-35)46-31/h1-20H,(H2,41,42,43,44,45,46,47,48,49,50)

Molecular Properties:
- Polar Surface Area: 135.0 Ų
- LogP: 7.7