1-(4-piperidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-piperidin-1-ylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-3-ium-2-ide;platinum

C₅₈H₄₆N₈O₂Pt₂-4 — CID 165154927

About 1-(4-piperidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-piperidin-1-ylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-3-ium-2-ide;platinum

1-(4-piperidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-piperidin-1-ylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-3-ium-2-ide;platinum (PubChem CID 165154927) has the molecular formula C₅₈H₄₆N₈O₂Pt₂-4 and a molecular weight of 1277.22 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-piperidin-1-ylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-3-ium-2-ide;platinum.

Molecular Properties

• Compound Name: 1-(4-piperidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-piperidin-1-ylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-3-ium-2-ide;platinum
• PubChem CID: 165154927
• Molecular Formula: C₅₈H₄₆N₈O₂Pt₂-4
• Molecular Weight: 1277.22 g/mol
• Exact Mass: 1276.31
• IUPAC Name: 1-(4-piperidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-piperidin-1-ylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-3-ium-2-ide;platinum
• SMILES: [Pt].[Pt].[c-]1c(Oc2[c-]c(-c3[c-]c(Oc4[c-]c(-[n+]5[c-]n(-c6ccc(N7CCCCC7)cc6)c6ccccc65)ccc4)ccn3)ncc2)cccc1-[n+]1[c-]n(-c2ccc(N3CCCCC3)cc2)c2ccccc21
• InChI: InChI=1S/C58H46N8O2.2Pt/c1-7-33-61(34-8-1)43-21-25-45(26-22-43)63-41-65(57-19-5-3-17-55(57)63)47-13-11-15-49(37-47)67-51-29-31-59-53(39-51)54-40-52(30-32-60-54)68-50-16-12-14-48(38-50)66-42-64(56-18-4-6-20-58(56)66)46-27-23-44(24-28-46)62-35-9-2-10-36-62;;/h3-6,11-32H,1-2,7-10,33-36H2;;/q-4
• InChIKey: QDAJSWFQKQMAAD-UHFFFAOYSA-N
• XLogP: 10.95
• TPSA: 68.34 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1277.22
LogP ≤ 5	10.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-piperidin-1-ylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-3-ium-2-ide;platinum?

The IUPAC name of 1-(4-piperidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-piperidin-1-ylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-3-ium-2-ide;platinum (CID 165154927) is 1-(4-piperidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-piperidin-1-ylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-3-ium-2-ide;platinum.

What is the SMILES notation for 1-(4-piperidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-piperidin-1-ylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-3-ium-2-ide;platinum?

The canonical SMILES for 1-(4-piperidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-piperidin-1-ylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-3-ium-2-ide;platinum is [Pt].[Pt].[c-]1c(Oc2[c-]c(-c3[c-]c(Oc4[c-]c(-[n+]5[c-]n(-c6ccc(N7CCCCC7)cc6)c6ccccc65)ccc4)ccn3)ncc2)cccc1-[n+]1[c-]n(-c2ccc(N3CCCCC3)cc2)c2ccccc21.

What is the InChIKey of 1-(4-piperidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-piperidin-1-ylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-3-ium-2-ide;platinum?

The InChIKey is QDAJSWFQKQMAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N8O2.2Pt/c1-7-33-61(34-8-1)43-21-25-45(26-22-43)63-41-65(57-19-5-3-17-55(57)63)47-13-11-15-49(37-47)67-51-29-31-59-53(39-51)54-40-52(30-32-60-54)68-50-16-12-14-48(38-50)66-42-64(56-18-4-6-20-58(56)66)46-27-23-44(24-28-46)62-35-9-2-10-36-62;;/h3-6,11-32H,1-2,7-10,33-36H2;;/q-4;;.

What are the key properties of 1-(4-piperidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-piperidin-1-ylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-3-ium-2-ide;platinum?

1-(4-piperidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-piperidin-1-ylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-3-ium-2-ide;platinum has a molecular weight of 1277.22 g/mol, XLogP of 10.95, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-piperidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-piperidin-1-ylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-3-ium-2-ide;platinum is sourced from PubChem (CID 165154927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 165154927 — identifiers, structure, computed properties (public domain)

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