platinum;1-(4-pyrrolidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-pyrrolidin-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

C56H42N8O2Pt2-4 — CID 165155066

About platinum;1-(4-pyrrolidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-pyrrolidin-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-pyrrolidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-pyrrolidin-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 (PubChem CID 165155066) has the molecular formula C56H42N8O2Pt2-4 and a molecular weight of 1249.16 g/mol. Its IUPAC name is platinum;1-(4-pyrrolidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-pyrrolidin-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.

Molecular Properties

• Compound Name: platinum;1-(4-pyrrolidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-pyrrolidin-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
• PubChem CID: 165155066
• Molecular Formula: C56H42N8O2Pt2-4
• Molecular Weight: 1249.16 g/mol
• Exact Mass: 1248.27
• IUPAC Name: platinum;1-(4-pyrrolidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-pyrrolidin-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
• SMILES: [Pt].[Pt].[c-]1c(Oc2[c-]c(-c3[c-]c(Oc4[c-]c(-[n+]5[c-]n(-c6ccc(N7CCCC7)cc6)c6ccccc65)ccc4)ccn3)ncc2)cccc1-[n+]1[c-]n(-c2ccc(N3CCCC3)cc2)c2ccccc21
• InChI: InChI=1S/C56H42N8O2.2Pt/c1-3-17-55-53(15-1)61(43-23-19-41(20-24-43)59-31-5-6-32-59)39-63(55)45-11-9-13-47(35-45)65-49-27-29-57-51(37-49)52-38-50(28-30-58-52)66-48-14-10-12-46(36-48)64-40-62(54-16-2-4-18-56(54)64)44-25-21-42(22-26-44)60-33-7-8-34-60;;/h1-4,9-30H,5-8,31-34H2;;/q-4
• InChIKey: NVHWKNALWRVQFF-UHFFFAOYSA-N
• XLogP: 10.17
• TPSA: 68.34 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1249.16
LogP ≤ 5	10.17
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 platinum;1-(4-pyrrolidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-pyrrolidin-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?

The IUPAC name of platinum;1-(4-pyrrolidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-pyrrolidin-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 (CID 165155066) is platinum;1-(4-pyrrolidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-pyrrolidin-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.

What is the SMILES notation for platinum;1-(4-pyrrolidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-pyrrolidin-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?

The canonical SMILES for platinum;1-(4-pyrrolidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-pyrrolidin-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 is [Pt].[Pt].[c-]1c(Oc2[c-]c(-c3[c-]c(Oc4[c-]c(-[n+]5[c-]n(-c6ccc(N7CCCC7)cc6)c6ccccc65)ccc4)ccn3)ncc2)cccc1-[n+]1[c-]n(-c2ccc(N3CCCC3)cc2)c2ccccc21.

What is the InChIKey of platinum;1-(4-pyrrolidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-pyrrolidin-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?

The InChIKey is NVHWKNALWRVQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N8O2.2Pt/c1-3-17-55-53(15-1)61(43-23-19-41(20-24-43)59-31-5-6-32-59)39-63(55)45-11-9-13-47(35-45)65-49-27-29-57-51(37-49)52-38-50(28-30-58-52)66-48-14-10-12-46(36-48)64-40-62(54-16-2-4-18-56(54)64)44-25-21-42(22-26-44)60-33-7-8-34-60;;/h1-4,9-30H,5-8,31-34H2;;/q-4;;.

What are the key properties of platinum;1-(4-pyrrolidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-pyrrolidin-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-pyrrolidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-pyrrolidin-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 has a molecular weight of 1249.16 g/mol, XLogP of 10.17, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for platinum;1-(4-pyrrolidin-1-ylphenyl)-3-[3-[[2-[4-[3-[3-(4-pyrrolidin-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 is sourced from PubChem (CID 165155066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).