1-(2,6-diphenylphenyl)-3-[3-[3-[6-(4-phenylphenyl)pyrimidin-4-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;platinum

C53H34N4OPt-2 — CID 154594807

About 1-(2,6-diphenylphenyl)-3-[3-[3-[6-(4-phenylphenyl)pyrimidin-4-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;platinum

1-(2,6-diphenylphenyl)-3-[3-[3-[6-(4-phenylphenyl)pyrimidin-4-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;platinum (PubChem CID 154594807) has the molecular formula C53H34N4OPt-2 and a molecular weight of 937.96 g/mol. Its IUPAC name is 1-(2,6-diphenylphenyl)-3-[3-[3-[6-(4-phenylphenyl)pyrimidin-4-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;platinum.

Molecular Properties

• Compound Name: 1-(2,6-diphenylphenyl)-3-[3-[3-[6-(4-phenylphenyl)pyrimidin-4-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;platinum
• PubChem CID: 154594807
• Molecular Formula: C53H34N4OPt-2
• Molecular Weight: 937.96 g/mol
• Exact Mass: 937.24
• IUPAC Name: 1-(2,6-diphenylphenyl)-3-[3-[3-[6-(4-phenylphenyl)pyrimidin-4-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;platinum
• SMILES: [Pt].[c-]1c(Oc2[c-]c(-n3[c-][n+](-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc43)ccc2)cccc1-c1cc(-c2ccc(-c3ccccc3)cc2)ncn1
• InChI: InChI=1S/C53H34N4O.Pt/c1-4-15-38(16-5-1)39-29-31-42(32-30-39)49-35-50(55-36-54-49)43-21-12-23-45(33-43)58-46-24-13-22-44(34-46)56-37-57(52-28-11-10-27-51(52)56)53-47(40-17-6-2-7-18-40)25-14-26-48(53)41-19-8-3-9-20-41;/h1-32,35-36H;/q-2
• InChIKey: MYDHNFWKLRTQPC-UHFFFAOYSA-N
• XLogP: 12.22
• TPSA: 43.82 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	937.96
LogP ≤ 5	12.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'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-(2,6-diphenylphenyl)-3-[3-[3-[6-(4-phenylphenyl)pyrimidin-4-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;platinum?

The IUPAC name of 1-(2,6-diphenylphenyl)-3-[3-[3-[6-(4-phenylphenyl)pyrimidin-4-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;platinum (CID 154594807) is 1-(2,6-diphenylphenyl)-3-[3-[3-[6-(4-phenylphenyl)pyrimidin-4-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;platinum.

What is the SMILES notation for 1-(2,6-diphenylphenyl)-3-[3-[3-[6-(4-phenylphenyl)pyrimidin-4-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;platinum?

The canonical SMILES for 1-(2,6-diphenylphenyl)-3-[3-[3-[6-(4-phenylphenyl)pyrimidin-4-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;platinum is [Pt].[c-]1c(Oc2[c-]c(-n3[c-][n+](-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc43)ccc2)cccc1-c1cc(-c2ccc(-c3ccccc3)cc2)ncn1.

What is the InChIKey of 1-(2,6-diphenylphenyl)-3-[3-[3-[6-(4-phenylphenyl)pyrimidin-4-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;platinum?

The InChIKey is MYDHNFWKLRTQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4O.Pt/c1-4-15-38(16-5-1)39-29-31-42(32-30-39)49-35-50(55-36-54-49)43-21-12-23-45(33-43)58-46-24-13-22-44(34-46)56-37-57(52-28-11-10-27-51(52)56)53-47(40-17-6-2-7-18-40)25-14-26-48(53)41-19-8-3-9-20-41;/h1-32,35-36H;/q-2;.

What are the key properties of 1-(2,6-diphenylphenyl)-3-[3-[3-[6-(4-phenylphenyl)pyrimidin-4-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;platinum?

1-(2,6-diphenylphenyl)-3-[3-[3-[6-(4-phenylphenyl)pyrimidin-4-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;platinum has a molecular weight of 937.96 g/mol, XLogP of 12.22, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-diphenylphenyl)-3-[3-[3-[6-(4-phenylphenyl)pyrimidin-4-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;platinum is sourced from PubChem (CID 154594807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).