Molecule ID: 9853362

IUPAC Name: 2-[4-[4-(3,5-diphenyltetrazol-3-ium-2-yl)-3-methoxyphenyl]-2-methoxyphenyl]-3,5-diphenyltetrazol-3-ium;dichloride

Description: The molecule is an organic chloride salt having tetrazolium blue(1+) as the counterion. It has a role as a dye. It contains a tetrazolium blue(2+).

SMILES: COc1cc(-c2ccc(-[n+]3nc(-c4ccccc4)nn3-c3ccccc3)c(OC)c2)ccc1-[n+]1nc(-c2ccccc2)nn1-c1ccccc1.[Cl-].[Cl-]

SELFIES: [C][O][C][=C][C][Branch2][Ring2][#Branch2][C][=C][C][=C][Branch2][Ring1][#Branch2][N+1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][#C][N+1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl-1].[Cl-1]

InChI: InChI=1S/C40H32N8O2.2ClH/c1-49-37-27-31(23-25-35(37)47-43-39(29-15-7-3-8-16-29)41-45(47)33-19-11-5-12-20-33)32-24-26-36(38(28-32)50-2)48-44-40(30-17-9-4-10-18-30)42-46(48)34-21-13-6-14-22-34;;/h3-28H,1-2H3;2*1H/q+2;;/p-2

Molecular Properties:
- Polar Surface Area: 87.6 Ų
- LogP: nan