Molecule ID: 16070029

IUPAC Name: 7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene

Description: The molecule is a cyclic tetrapyrrole that consists of porphyrin that has a cyclopentane ring fused to one of the pyrrole rings and the adjacent methine group. The parent of the class of phorbines.

SMILES: C1=Cc2cc3cc4c([nH]3)c(c3nc(cc5ccc(cc1n2)[nH]5)CC3)CC4

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

InChI: InChI=1S/C22H18N4/c1-7-20-21-8-6-18(25-21)11-16-3-2-14(23-16)10-15-4-5-17(24-15)12-19-9-13(1)22(20)26-19/h2-5,9-12,23,26H,1,6-8H2

Molecular Properties:
- Polar Surface Area: 57.4 Ų
- LogP: 4.0