2-(4-carboxy-1-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-1-ium-2-yl)-1-methyl-2H-benzimidazol-1-ium-4-carboxylic acid;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-[2-[4-(2-hydroxyphenyl)-1-phenyl-2H-imidazol-1-ium-2-yl]-1-phenyl-2H-imidazol-1-ium-4-yl]phenol;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate

C124H90F4N18O6Pt5S2+4 — CID 157177255

About 2-(4-carboxy-1-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-1-ium-2-yl)-1-methyl-2H-benzimidazol-1-ium-4-carboxylic acid;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-[2-[4-(2-hydroxyphenyl)-1-phenyl-2H-imidazol-1-ium-2-yl]-1-phenyl-2H-imidazol-1-ium-4-yl]phenol;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate

2-(4-carboxy-1-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-1-ium-2-yl)-1-methyl-2H-benzimidazol-1-ium-4-carboxylic acid;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-[2-[4-(2-hydroxyphenyl)-1-phenyl-2H-imidazol-1-ium-2-yl]-1-phenyl-2H-imidazol-1-ium-4-yl]phenol;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate (PubChem CID 157177255) has the molecular formula C124H90F4N18O6Pt5S2+4 and a molecular weight of 3043.72 g/mol. Its IUPAC name is 2-(4-carboxy-1-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-1-ium-2-yl)-1-methyl-2H-benzimidazol-1-ium-4-carboxylic acid;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-[2-[4-(2-hydroxyphenyl)-1-phenyl-2H-imidazol-1-ium-2-yl]-1-phenyl-2H-imidazol-1-ium-4-yl]phenol;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate.

Molecular Properties

• Compound Name: 2-(4-carboxy-1-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-1-ium-2-yl)-1-methyl-2H-benzimidazol-1-ium-4-carboxylic acid;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-[2-[4-(2-hydroxyphenyl)-1-phenyl-2H-imidazol-1-ium-2-yl]-1-phenyl-2H-imidazol-1-ium-4-yl]phenol;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate
• PubChem CID: 157177255
• Molecular Formula: C124H90F4N18O6Pt5S2+4
• Molecular Weight: 3043.72 g/mol
• Exact Mass: 3041.49
• IUPAC Name: 2-(4-carboxy-1-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-1-ium-2-yl)-1-methyl-2H-benzimidazol-1-ium-4-carboxylic acid;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-[2-[4-(2-hydroxyphenyl)-1-phenyl-2H-imidazol-1-ium-2-yl]-1-phenyl-2H-imidazol-1-ium-4-yl]phenol;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate
• SMILES: C[N+]1=C2CCCC(C(=O)O)C2=NC1C1N=c2c(C(=O)O)cccc2=[N+]1C.Fc1c[c-]c(-c2cccc(N(c3ccccc3)c3cccc(-c4[c-]cc(F)cc4F)n3)n2)c(F)c1.Oc1ccccc1C1=NC(C2N=C(c3ccccc3O)C=[N+]2c2ccccc2)[N+](c2ccccc2)=C1.[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].[S-]c1ccccc1-c1ccnc(-c2nccc(-c3ccccc3[S-])n2)n1.[c-]1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1
• InChI: InChI=1S/C30H22N4O2.C28H15F4N3.C28H19N3.C20H14N4S2.C18H18N4O4.5Pt/c35-27-17-9-7-15-23(27)25-19-33(21-11-3-1-4-12-21)29(31-25)30-32-26(24-16-8-10-18-28(24)36)20-34(30)22-13-5-2-6-14-22;29-18-12-14-21(23(31)16-18)25-8-4-10-27(33-25)35(20-6-2-1-3-7-20)28-11-5-9-26(34-28)22-15-13-19(30)17-24(22)32;1-4-12-22(13-5-1)25-18-10-20-27(29-25)31(24-16-8-3-9-17-24)28-21-11-19-26(30-28)23-14-6-2-7-15-23;25-17-7-3-1-5-13(17)15-9-11-21-19(23-15)20-22-12-10-16(24-20)14-6-2-4-8-18(14)26;1-21-11-7-3-5-9(17(23)24)13(11)19-15(21)16-20-14-10(18(25)26)6-4-8-12(14)22(16)2;;;;;/h1-20,29-30H;1-13,16-17H;1-12,14,16-21H;1-12,25-26H;3,5,7,10,15-16H,4,6,8H2,1-2H3;;;;;/q;2*-2;;;;;3*+2/p+2
• InChIKey: DNDKHWZDQPLXMK-UHFFFAOYSA-P
• XLogP: 22.48
• TPSA: 286.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3043.72
LogP ≤ 5	22.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-1-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-1-ium-2-yl)-1-methyl-2H-benzimidazol-1-ium-4-carboxylic acid;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-[2-[4-(2-hydroxyphenyl)-1-phenyl-2H-imidazol-1-ium-2-yl]-1-phenyl-2H-imidazol-1-ium-4-yl]phenol;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate?

The IUPAC name of 2-(4-carboxy-1-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-1-ium-2-yl)-1-methyl-2H-benzimidazol-1-ium-4-carboxylic acid;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-[2-[4-(2-hydroxyphenyl)-1-phenyl-2H-imidazol-1-ium-2-yl]-1-phenyl-2H-imidazol-1-ium-4-yl]phenol;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate (CID 157177255) is 2-(4-carboxy-1-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-1-ium-2-yl)-1-methyl-2H-benzimidazol-1-ium-4-carboxylic acid;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-[2-[4-(2-hydroxyphenyl)-1-phenyl-2H-imidazol-1-ium-2-yl]-1-phenyl-2H-imidazol-1-ium-4-yl]phenol;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate.

What is the SMILES notation for 2-(4-carboxy-1-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-1-ium-2-yl)-1-methyl-2H-benzimidazol-1-ium-4-carboxylic acid;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-[2-[4-(2-hydroxyphenyl)-1-phenyl-2H-imidazol-1-ium-2-yl]-1-phenyl-2H-imidazol-1-ium-4-yl]phenol;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate?

The canonical SMILES for 2-(4-carboxy-1-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-1-ium-2-yl)-1-methyl-2H-benzimidazol-1-ium-4-carboxylic acid;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-[2-[4-(2-hydroxyphenyl)-1-phenyl-2H-imidazol-1-ium-2-yl]-1-phenyl-2H-imidazol-1-ium-4-yl]phenol;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate is C[N+]1=C2CCCC(C(=O)O)C2=NC1C1N=c2c(C(=O)O)cccc2=[N+]1C.Fc1c[c-]c(-c2cccc(N(c3ccccc3)c3cccc(-c4[c-]cc(F)cc4F)n3)n2)c(F)c1.Oc1ccccc1C1=NC(C2N=C(c3ccccc3O)C=[N+]2c2ccccc2)[N+](c2ccccc2)=C1.[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].[S-]c1ccccc1-c1ccnc(-c2nccc(-c3ccccc3[S-])n2)n1.[c-]1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1.

What is the InChIKey of 2-(4-carboxy-1-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-1-ium-2-yl)-1-methyl-2H-benzimidazol-1-ium-4-carboxylic acid;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-[2-[4-(2-hydroxyphenyl)-1-phenyl-2H-imidazol-1-ium-2-yl]-1-phenyl-2H-imidazol-1-ium-4-yl]phenol;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate?

The InChIKey is DNDKHWZDQPLXMK-UHFFFAOYSA-P. The full InChI is InChI=1S/C30H22N4O2.C28H15F4N3.C28H19N3.C20H14N4S2.C18H18N4O4.5Pt/c35-27-17-9-7-15-23(27)25-19-33(21-11-3-1-4-12-21)29(31-25)30-32-26(24-16-8-10-18-28(24)36)20-34(30)22-13-5-2-6-14-22;29-18-12-14-21(23(31)16-18)25-8-4-10-27(33-25)35(20-6-2-1-3-7-20)28-11-5-9-26(34-28)22-15-13-19(30)17-24(22)32;1-4-12-22(13-5-1)25-18-10-20-27(29-25)31(24-16-8-3-9-17-24)28-21-11-19-26(30-28)23-14-6-2-7-15-23;25-17-7-3-1-5-13(17)15-9-11-21-19(23-15)20-22-12-10-16(24-20)14-6-2-4-8-18(14)26;1-21-11-7-3-5-9(17(23)24)13(11)19-15(21)16-20-14-10(18(25)26)6-4-8-12(14)22(16)2;;;;;/h1-20,29-30H;1-13,16-17H;1-12,14,16-21H;1-12,25-26H;3,5,7,10,15-16H,4,6,8H2,1-2H3;;;;;/q;2*-2;;;;;3*+2/p+2.

What are the key properties of 2-(4-carboxy-1-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-1-ium-2-yl)-1-methyl-2H-benzimidazol-1-ium-4-carboxylic acid;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-[2-[4-(2-hydroxyphenyl)-1-phenyl-2H-imidazol-1-ium-2-yl]-1-phenyl-2H-imidazol-1-ium-4-yl]phenol;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate?

2-(4-carboxy-1-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-1-ium-2-yl)-1-methyl-2H-benzimidazol-1-ium-4-carboxylic acid;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-[2-[4-(2-hydroxyphenyl)-1-phenyl-2H-imidazol-1-ium-2-yl]-1-phenyl-2H-imidazol-1-ium-4-yl]phenol;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate has a molecular weight of 3043.72 g/mol, XLogP of 22.48, 21 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-carboxy-1-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-1-ium-2-yl)-1-methyl-2H-benzimidazol-1-ium-4-carboxylic acid;6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-[2-[4-(2-hydroxyphenyl)-1-phenyl-2H-imidazol-1-ium-2-yl]-1-phenyl-2H-imidazol-1-ium-4-yl]phenol;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;tris(platinum(2+));2-[2-[4-(2-sulfidophenyl)pyrimidin-2-yl]pyrimidin-4-yl]benzenethiolate is sourced from PubChem (CID 157177255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).