3-(4-tert-butyl-2-pyridinyl)-5-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-(2,6-dimethylphenyl)-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum

C60H47BN6OPt-2 — CID 156623015

About 3-(4-tert-butyl-2-pyridinyl)-5-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-(2,6-dimethylphenyl)-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum

3-(4-tert-butyl-2-pyridinyl)-5-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-(2,6-dimethylphenyl)-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum (PubChem CID 156623015) has the molecular formula C60H47BN6OPt-2 and a molecular weight of 1073.97 g/mol. Its IUPAC name is 3-(4-tert-butyl-2-pyridinyl)-5-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-(2,6-dimethylphenyl)-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum.

Molecular Properties

• Compound Name: 3-(4-tert-butyl-2-pyridinyl)-5-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-(2,6-dimethylphenyl)-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum
• PubChem CID: 156623015
• Molecular Formula: C60H47BN6OPt-2
• Molecular Weight: 1073.97 g/mol
• Exact Mass: 1073.36
• IUPAC Name: 3-(4-tert-butyl-2-pyridinyl)-5-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-(2,6-dimethylphenyl)-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum
• SMILES: Cc1cccc(C)c1B1N(c2cc(C(C)(C)C)ccn2)c2[c-]c(Oc3[c-]c(-n4[c-][n+](-c5ccccc5-n5c6ccccc6c6ccccc65)c5ccccc54)ccc3)ccc2N1c1ccccc1.[Pt]
• InChI: InChI=1S/C60H47BN6O.Pt/c1-41-19-17-20-42(2)59(41)61-66(44-21-7-6-8-22-44)56-34-33-47(39-57(56)67(61)58-37-43(35-36-62-58)60(3,4)5)68-46-24-18-23-45(38-46)63-40-64(53-30-14-13-29-52(53)63)54-31-15-16-32-55(54)65-50-27-11-9-25-48(50)49-26-10-12-28-51(49)65;/h6-37H,1-5H3;/q-2
• InChIKey: YRADNVLSBBLJER-UHFFFAOYSA-N
• XLogP: 13.19
• TPSA: 42.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1073.97
LogP ≤ 5	13.19
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-(4-tert-butyl-2-pyridinyl)-5-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-(2,6-dimethylphenyl)-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum?

The IUPAC name of 3-(4-tert-butyl-2-pyridinyl)-5-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-(2,6-dimethylphenyl)-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum (CID 156623015) is 3-(4-tert-butyl-2-pyridinyl)-5-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-(2,6-dimethylphenyl)-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum.

What is the SMILES notation for 3-(4-tert-butyl-2-pyridinyl)-5-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-(2,6-dimethylphenyl)-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum?

The canonical SMILES for 3-(4-tert-butyl-2-pyridinyl)-5-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-(2,6-dimethylphenyl)-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum is Cc1cccc(C)c1B1N(c2cc(C(C)(C)C)ccn2)c2[c-]c(Oc3[c-]c(-n4[c-][n+](-c5ccccc5-n5c6ccccc6c6ccccc65)c5ccccc54)ccc3)ccc2N1c1ccccc1.[Pt].

What is the InChIKey of 3-(4-tert-butyl-2-pyridinyl)-5-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-(2,6-dimethylphenyl)-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum?

The InChIKey is YRADNVLSBBLJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H47BN6O.Pt/c1-41-19-17-20-42(2)59(41)61-66(44-21-7-6-8-22-44)56-34-33-47(39-57(56)67(61)58-37-43(35-36-62-58)60(3,4)5)68-46-24-18-23-45(38-46)63-40-64(53-30-14-13-29-52(53)63)54-31-15-16-32-55(54)65-50-27-11-9-25-48(50)49-26-10-12-28-51(49)65;/h6-37H,1-5H3;/q-2;.

What are the key properties of 3-(4-tert-butyl-2-pyridinyl)-5-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-(2,6-dimethylphenyl)-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum?

3-(4-tert-butyl-2-pyridinyl)-5-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-(2,6-dimethylphenyl)-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum has a molecular weight of 1073.97 g/mol, XLogP of 13.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-tert-butyl-2-pyridinyl)-5-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-(2,6-dimethylphenyl)-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum is sourced from PubChem (CID 156623015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).