3-[3-[3-[3-(2-carbazol-9-ylphenyl)-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

C48H30BN5O2Pt-2 — CID 156622889

About 3-[3-[3-[3-(2-carbazol-9-ylphenyl)-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-[3-[3-(2-carbazol-9-ylphenyl)-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 156622889) has the molecular formula C48H30BN5O2Pt-2 and a molecular weight of 914.69 g/mol. Its IUPAC name is 3-[3-[3-[3-(2-carbazol-9-ylphenyl)-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-[3-[3-(2-carbazol-9-ylphenyl)-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: 156622889
• Molecular Formula: C48H30BN5O2Pt-2
• Molecular Weight: 914.69 g/mol
• Exact Mass: 914.22
• IUPAC Name: 3-[3-[3-[3-(2-carbazol-9-ylphenyl)-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: [Pt].[c-]1c(Oc2[c-]c(-n3[c-][n+](-c4ccccc4-n4c5ccccc5c5ccccc54)c4ccccc43)ccc2)cccc1N1B(c2ccccc2)Oc2cccnc21
• InChI: InChI=1S/C48H30BN5O2.Pt/c1-2-15-34(16-3-1)49-54(48-47(56-49)29-14-30-50-48)36-18-13-20-38(32-36)55-37-19-12-17-35(31-37)51-33-52(44-26-9-8-25-43(44)51)45-27-10-11-28-46(45)53-41-23-6-4-21-39(41)40-22-5-7-24-42(40)53;/h1-30H;/q-2
• InChIKey: IMANJSQPBOEBFW-UHFFFAOYSA-N
• XLogP: 9.52
• TPSA: 48.33 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	914.69
LogP ≤ 5	9.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-[3-[3-(2-carbazol-9-ylphenyl)-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-[3-[3-(2-carbazol-9-ylphenyl)-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 156622889) is 3-[3-[3-[3-(2-carbazol-9-ylphenyl)-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-[3-[3-(2-carbazol-9-ylphenyl)-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-[3-[3-(2-carbazol-9-ylphenyl)-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 [Pt].[c-]1c(Oc2[c-]c(-n3[c-][n+](-c4ccccc4-n4c5ccccc5c5ccccc54)c4ccccc43)ccc2)cccc1N1B(c2ccccc2)Oc2cccnc21.

What is the InChIKey of 3-[3-[3-[3-(2-carbazol-9-ylphenyl)-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 IMANJSQPBOEBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30BN5O2.Pt/c1-2-15-34(16-3-1)49-54(48-47(56-49)29-14-30-50-48)36-18-13-20-38(32-36)55-37-19-12-17-35(31-37)51-33-52(44-26-9-8-25-43(44)51)45-27-10-11-28-46(45)53-41-23-6-4-21-39(41)40-22-5-7-24-42(40)53;/h1-30H;/q-2;.

What are the key properties of 3-[3-[3-[3-(2-carbazol-9-ylphenyl)-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-[3-[3-(2-carbazol-9-ylphenyl)-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 914.69 g/mol, XLogP of 9.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-[3-(2-carbazol-9-ylphenyl)-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 156622889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).