2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-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;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

C94H60F4N14O4Pt4S2 — CID 158173347

About 2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-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;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-methylbenzimidazol-2-yl)-1-methylbenzimidazole-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;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 158173347) has the molecular formula C94H60F4N14O4Pt4S2 and a molecular weight of 2370.05 g/mol. Its IUPAC name is 2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-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;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-methylbenzimidazol-2-yl)-1-methylbenzimidazole-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;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: 158173347
• Molecular Formula: C94H60F4N14O4Pt4S2
• Molecular Weight: 2370.05 g/mol
• Exact Mass: 2368.29
• IUPAC Name: 2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-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;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: Cn1c(-c2nc3c(C(=O)O)cccc3n2C)nc2c(C(=O)O)cccc21.Fc1c[c-]c(-c2cccc(N(c3ccccc3)c3cccc(-c4[c-]cc(F)cc4F)n3)n2)c(F)c1.[Pt+2].[Pt+2].[Pt+2].[Pt].[S-]c1ccccc1-c1ccnc(-c2nccc(-c3ccccc3[S-])n2)n1.[c-]1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1
• InChI: InChI=1S/C28H15F4N3.C28H19N3.C20H14N4S2.C18H14N4O4.4Pt/c29-18-12-14-21(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;;;;/h1-13,16-17H;1-12,14,16-21H;1-12,25-26H;3-8H,1-2H3,(H,23,24)(H,25,26);;;;/q2*-2;;;;3*+2/p-2
• InChIKey: DRDLZEFMVRPFDZ-UHFFFAOYSA-L
• XLogP: 20.91
• TPSA: 219.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2370.05
LogP ≤ 5	20.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-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;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-methylbenzimidazol-2-yl)-1-methylbenzimidazole-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;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 158173347) is 2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-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;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-methylbenzimidazol-2-yl)-1-methylbenzimidazole-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;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-methylbenzimidazol-2-yl)-1-methylbenzimidazole-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;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 Cn1c(-c2nc3c(C(=O)O)cccc3n2C)nc2c(C(=O)O)cccc21.Fc1c[c-]c(-c2cccc(N(c3ccccc3)c3cccc(-c4[c-]cc(F)cc4F)n3)n2)c(F)c1.[Pt+2].[Pt+2].[Pt+2].[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-methylbenzimidazol-2-yl)-1-methylbenzimidazole-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;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 DRDLZEFMVRPFDZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H15F4N3.C28H19N3.C20H14N4S2.C18H14N4O4.4Pt/c29-18-12-14-21(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;;;;/h1-13,16-17H;1-12,14,16-21H;1-12,25-26H;3-8H,1-2H3,(H,23,24)(H,25,26);;;;/q2*-2;;;;3*+2/p-2.

What are the key properties of 2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-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;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-methylbenzimidazol-2-yl)-1-methylbenzimidazole-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;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 2370.05 g/mol, XLogP of 20.91, 16 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-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;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 158173347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).