potassium;2-bromo-9-(2-methylpropyl)carbazole;9-(2-methylpropyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate

C52H71B3BrKN2O8 — CID 157264334

About potassium;2-bromo-9-(2-methylpropyl)carbazole;9-(2-methylpropyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate

potassium;2-bromo-9-(2-methylpropyl)carbazole;9-(2-methylpropyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate (PubChem CID 157264334) has the molecular formula C52H71B3BrKN2O8 and a molecular weight of 1003.58 g/mol. Its IUPAC name is potassium;2-bromo-9-(2-methylpropyl)carbazole;9-(2-methylpropyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate.

Molecular Properties

• Compound Name: potassium;2-bromo-9-(2-methylpropyl)carbazole;9-(2-methylpropyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate
• PubChem CID: 157264334
• Molecular Formula: C52H71B3BrKN2O8
• Molecular Weight: 1003.58 g/mol
• Exact Mass: 1002.43
• IUPAC Name: potassium;2-bromo-9-(2-methylpropyl)carbazole;9-(2-methylpropyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate
• SMILES: CC(=O)[O-].CC(C)Cn1c2ccccc2c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CC(C)Cn1c2ccccc2c2ccc(Br)cc21.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.[K+]
• InChI: InChI=1S/C22H28BNO2.C16H16BrN.C12H24B2O4.C2H4O2.K/c1-15(2)14-24-19-10-8-7-9-17(19)18-12-11-16(13-20(18)24)23-25-21(3,4)22(5,6)26-23;1-11(2)10-18-15-6-4-3-5-13(15)14-8-7-12(17)9-16(14)18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2(3)4;/h7-13,15H,14H2,1-6H3;3-9,11H,10H2,1-2H3;1-8H3;1H3,(H,3,4);/q;;;;+1/p-1
• InChIKey: AXVCYAOEZTYWIM-UHFFFAOYSA-M
• XLogP: 7.97
• TPSA: 105.37 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1003.58
LogP ≤ 5	7.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;2-bromo-9-(2-methylpropyl)carbazole;9-(2-methylpropyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate?

The IUPAC name of potassium;2-bromo-9-(2-methylpropyl)carbazole;9-(2-methylpropyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate (CID 157264334) is potassium;2-bromo-9-(2-methylpropyl)carbazole;9-(2-methylpropyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate.

What is the SMILES notation for potassium;2-bromo-9-(2-methylpropyl)carbazole;9-(2-methylpropyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate?

The canonical SMILES for potassium;2-bromo-9-(2-methylpropyl)carbazole;9-(2-methylpropyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate is CC(=O)[O-].CC(C)Cn1c2ccccc2c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CC(C)Cn1c2ccccc2c2ccc(Br)cc21.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.[K+].

What is the InChIKey of potassium;2-bromo-9-(2-methylpropyl)carbazole;9-(2-methylpropyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate?

The InChIKey is AXVCYAOEZTYWIM-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H28BNO2.C16H16BrN.C12H24B2O4.C2H4O2.K/c1-15(2)14-24-19-10-8-7-9-17(19)18-12-11-16(13-20(18)24)23-25-21(3,4)22(5,6)26-23;1-11(2)10-18-15-6-4-3-5-13(15)14-8-7-12(17)9-16(14)18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2(3)4;/h7-13,15H,14H2,1-6H3;3-9,11H,10H2,1-2H3;1-8H3;1H3,(H,3,4);/q;;;;+1/p-1.

What are the key properties of potassium;2-bromo-9-(2-methylpropyl)carbazole;9-(2-methylpropyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate?

potassium;2-bromo-9-(2-methylpropyl)carbazole;9-(2-methylpropyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate has a molecular weight of 1003.58 g/mol, XLogP of 7.97, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;2-bromo-9-(2-methylpropyl)carbazole;9-(2-methylpropyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate is sourced from PubChem (CID 157264334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).