3-[3-tert-butyl-5-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2-(2,6-dimethylphenyl)-[1,3,2]oxazaborolo[4,5-b]pyridine;2-(2,6-dimethylphenyl)-3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1,3,2]oxazaborolo[4,5-b]pyridine;3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2-phenyl-[1,3,2]oxazaborolo[4,5-b]pyridine;platinum

C152H109B3N12O6Pt3-6 — CID 161276435

About 3-[3-tert-butyl-5-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2-(2,6-dimethylphenyl)-[1,3,2]oxazaborolo[4,5-b]pyridine;2-(2,6-dimethylphenyl)-3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1,3,2]oxazaborolo[4,5-b]pyridine;3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2-phenyl-[1,3,2]oxazaborolo[4,5-b]pyridine;platinum

3-[3-tert-butyl-5-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2-(2,6-dimethylphenyl)-[1,3,2]oxazaborolo[4,5-b]pyridine;2-(2,6-dimethylphenyl)-3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1,3,2]oxazaborolo[4,5-b]pyridine;3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2-phenyl-[1,3,2]oxazaborolo[4,5-b]pyridine;platinum (PubChem CID 161276435) has the molecular formula C152H109B3N12O6Pt3-6 and a molecular weight of 2817.29 g/mol. Its IUPAC name is 3-[3-tert-butyl-5-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2-(2,6-dimethylphenyl)-[1,3,2]oxazaborolo[4,5-b]pyridine;2-(2,6-dimethylphenyl)-3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1,3,2]oxazaborolo[4,5-b]pyridine;3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2-phenyl-[1,3,2]oxazaborolo[4,5-b]pyridine;platinum.

Molecular Properties

• Compound Name: 3-[3-tert-butyl-5-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2-(2,6-dimethylphenyl)-[1,3,2]oxazaborolo[4,5-b]pyridine;2-(2,6-dimethylphenyl)-3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1,3,2]oxazaborolo[4,5-b]pyridine;3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2-phenyl-[1,3,2]oxazaborolo[4,5-b]pyridine;platinum
• PubChem CID: 161276435
• Molecular Formula: C152H109B3N12O6Pt3-6
• Molecular Weight: 2817.29 g/mol
• Exact Mass: 2815.78
• IUPAC Name: 3-[3-tert-butyl-5-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2-(2,6-dimethylphenyl)-[1,3,2]oxazaborolo[4,5-b]pyridine;2-(2,6-dimethylphenyl)-3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1,3,2]oxazaborolo[4,5-b]pyridine;3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2-phenyl-[1,3,2]oxazaborolo[4,5-b]pyridine;platinum
• SMILES: Cc1cccc(C)c1B1Oc2cccnc2N1c1[c-]c(Oc2[c-]c(-n3[c-][n+](-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc43)ccc2)cc(C(C)(C)C)c1.Cc1cccc(C)c1B1Oc2cccnc2N1c1[c-]c(Oc2[c-]c(-n3[c-][n+](-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc43)ccc2)ccc1.[Pt].[Pt].[Pt].[c-]1c(Oc2[c-]c(-n3[c-][n+](-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc43)ccc2)cccc1N1B(c2ccccc2)Oc2cccnc21
• InChI: InChI=1S/C54H43BN4O2.C50H35BN4O2.C48H31BN4O2.3Pt/c1-37-18-14-19-38(2)51(37)55-59(53-50(61-55)30-17-31-56-53)43-32-41(54(3,4)5)33-45(35-43)60-44-25-15-24-42(34-44)57-36-58(49-29-13-12-28-48(49)57)52-46(39-20-8-6-9-21-39)26-16-27-47(52)40-22-10-7-11-23-40;1-35-16-11-17-36(2)48(35)51-55(50-47(57-51)30-15-31-52-50)40-23-13-25-42(33-40)56-41-24-12-22-39(32-41)53-34-54(46-29-10-9-28-45(46)53)49-43(37-18-5-3-6-19-37)26-14-27-44(49)38-20-7-4-8-21-38;1-4-16-35(17-5-1)42-26-14-27-43(36-18-6-2-7-19-36)47(42)52-34-51(44-28-10-11-29-45(44)52)38-22-12-24-40(32-38)54-41-25-13-23-39(33-41)53-48-46(30-15-31-50-48)55-49(53)37-20-8-3-9-21-37;;;/h6-33H,1-5H3;3-31H,1-2H3;1-31H;;;/q3*-2
• InChIKey: NSEXKJNAESYXBX-UHFFFAOYSA-N
• XLogP: 31.79
• TPSA: 130.20 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 24
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2817.29
LogP ≤ 5	31.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-tert-butyl-5-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2-(2,6-dimethylphenyl)-[1,3,2]oxazaborolo[4,5-b]pyridine;2-(2,6-dimethylphenyl)-3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1,3,2]oxazaborolo[4,5-b]pyridine;3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2-phenyl-[1,3,2]oxazaborolo[4,5-b]pyridine;platinum?

The IUPAC name of 3-[3-tert-butyl-5-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2-(2,6-dimethylphenyl)-[1,3,2]oxazaborolo[4,5-b]pyridine;2-(2,6-dimethylphenyl)-3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1,3,2]oxazaborolo[4,5-b]pyridine;3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2-phenyl-[1,3,2]oxazaborolo[4,5-b]pyridine;platinum (CID 161276435) is 3-[3-tert-butyl-5-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2-(2,6-dimethylphenyl)-[1,3,2]oxazaborolo[4,5-b]pyridine;2-(2,6-dimethylphenyl)-3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1,3,2]oxazaborolo[4,5-b]pyridine;3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2-phenyl-[1,3,2]oxazaborolo[4,5-b]pyridine;platinum.

What is the SMILES notation for 3-[3-tert-butyl-5-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2-(2,6-dimethylphenyl)-[1,3,2]oxazaborolo[4,5-b]pyridine;2-(2,6-dimethylphenyl)-3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1,3,2]oxazaborolo[4,5-b]pyridine;3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2-phenyl-[1,3,2]oxazaborolo[4,5-b]pyridine;platinum?

The canonical SMILES for 3-[3-tert-butyl-5-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2-(2,6-dimethylphenyl)-[1,3,2]oxazaborolo[4,5-b]pyridine;2-(2,6-dimethylphenyl)-3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1,3,2]oxazaborolo[4,5-b]pyridine;3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2-phenyl-[1,3,2]oxazaborolo[4,5-b]pyridine;platinum is Cc1cccc(C)c1B1Oc2cccnc2N1c1[c-]c(Oc2[c-]c(-n3[c-][n+](-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc43)ccc2)cc(C(C)(C)C)c1.Cc1cccc(C)c1B1Oc2cccnc2N1c1[c-]c(Oc2[c-]c(-n3[c-][n+](-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc43)ccc2)ccc1.[Pt].[Pt].[Pt].[c-]1c(Oc2[c-]c(-n3[c-][n+](-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc43)ccc2)cccc1N1B(c2ccccc2)Oc2cccnc21.

What is the InChIKey of 3-[3-tert-butyl-5-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2-(2,6-dimethylphenyl)-[1,3,2]oxazaborolo[4,5-b]pyridine;2-(2,6-dimethylphenyl)-3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1,3,2]oxazaborolo[4,5-b]pyridine;3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2-phenyl-[1,3,2]oxazaborolo[4,5-b]pyridine;platinum?

The InChIKey is NSEXKJNAESYXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H43BN4O2.C50H35BN4O2.C48H31BN4O2.3Pt/c1-37-18-14-19-38(2)51(37)55-59(53-50(61-55)30-17-31-56-53)43-32-41(54(3,4)5)33-45(35-43)60-44-25-15-24-42(34-44)57-36-58(49-29-13-12-28-48(49)57)52-46(39-20-8-6-9-21-39)26-16-27-47(52)40-22-10-7-11-23-40;1-35-16-11-17-36(2)48(35)51-55(50-47(57-51)30-15-31-52-50)40-23-13-25-42(33-40)56-41-24-12-22-39(32-41)53-34-54(46-29-10-9-28-45(46)53)49-43(37-18-5-3-6-19-37)26-14-27-44(49)38-20-7-4-8-21-38;1-4-16-35(17-5-1)42-26-14-27-43(36-18-6-2-7-19-36)47(42)52-34-51(44-28-10-11-29-45(44)52)38-22-12-24-40(32-38)54-41-25-13-23-39(33-41)53-48-46(30-15-31-50-48)55-49(53)37-20-8-3-9-21-37;;;/h6-33H,1-5H3;3-31H,1-2H3;1-31H;;;/q3*-2;;;.

What are the key properties of 3-[3-tert-butyl-5-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2-(2,6-dimethylphenyl)-[1,3,2]oxazaborolo[4,5-b]pyridine;2-(2,6-dimethylphenyl)-3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1,3,2]oxazaborolo[4,5-b]pyridine;3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2-phenyl-[1,3,2]oxazaborolo[4,5-b]pyridine;platinum?

3-[3-tert-butyl-5-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2-(2,6-dimethylphenyl)-[1,3,2]oxazaborolo[4,5-b]pyridine;2-(2,6-dimethylphenyl)-3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1,3,2]oxazaborolo[4,5-b]pyridine;3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2-phenyl-[1,3,2]oxazaborolo[4,5-b]pyridine;platinum has a molecular weight of 2817.29 g/mol, XLogP of 31.79, 24 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-tert-butyl-5-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2-(2,6-dimethylphenyl)-[1,3,2]oxazaborolo[4,5-b]pyridine;2-(2,6-dimethylphenyl)-3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1,3,2]oxazaborolo[4,5-b]pyridine;3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2-phenyl-[1,3,2]oxazaborolo[4,5-b]pyridine;platinum is sourced from PubChem (CID 161276435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).