Molecule ID: 92136173

IUPAC Name: [amino-(2-methylanilino)methylidene]-(2-methylphenyl)azanium;copper;2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13,15,17,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-5,23-disulfonate

Description: The molecule is a guanidinium salt that is the bis[1,3-di(2-tolyl)guanidinium] salt of a copper phthalocyanine-disulfonic acid. A dye that is soluble in alcohols and phospholipids and is used to demonstrate myelin. It has a role as a fluorochrome and a histological dye. It is a guanidinium salt and an organosulfonate salt. It contains a Luxol fast blue MBS(2-).

SMILES: Cc1ccccc1NC(=N)Nc1ccccc1C.Cc1ccccc1NC(=N)Nc1ccccc1C.O=S(=O)(O)c1cccc2c1-c1nc3nc([n-]c4[n-]c(nc5nc(nc-2n1)-c1ccccc1-5)c1c(S(=O)(=O)O)cccc41)-c1ccccc1-3.[Cu]

SELFIES: [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C].[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C].[O][=S][=Branch1][C][=O][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][N][=C][Branch2][Branch1][Ring2][N-1][C][N-1][C][Branch2][Ring1][Branch2][N][=C][N][=C][Branch1][Branch2][N][=C][Ring1][P][N][=Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][C][=C][C][=Ring2][Ring1][#Branch2][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][Ring2].[Cu]

InChI: InChI=1S/C32H16N8O6S2.2C15H17N3.Cu/c41-47(42,43)21-13-5-11-19-23(21)32-38-28-18-10-4-2-8-16(18)26(34-28)36-30-20-12-6-14-22(48(44,45)46)24(20)31(40-30)37-27-17-9-3-1-7-15(17)25(33-27)35-29(19)39-32;2*1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2;/h1-14H,(H2-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46);2*3-10H,1-2H3,(H3,16,17,18);/q-2;;;

Molecular Properties:
- Polar Surface Area: 311.0 Ų
- LogP: nan