[3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C58H86B3BrN4O8Si2 — CID 157177450

About [3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

[3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 157177450) has the molecular formula C58H86B3BrN4O8Si2 and a molecular weight of 1135.86 g/mol. Its IUPAC name is [3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: [3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 157177450
• Molecular Formula: C58H86B3BrN4O8Si2
• Molecular Weight: 1135.86 g/mol
• Exact Mass: 1134.54
• IUPAC Name: [3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC(C)(C)[Si](C)(C)OCc1cccc(-n2ncc3ccc(Br)cc32)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3cnn(-c4cccc(CO[Si](C)(C)C(C)(C)C)c4)c3c2)OC1(C)C
• InChI: InChI=1S/C26H37BN2O3Si.C20H25BrN2OSi.C12H24B2O4/c1-24(2,3)33(8,9)30-18-19-11-10-12-22(15-19)29-23-16-21(14-13-20(23)17-28-29)27-31-25(4,5)26(6,7)32-27;1-20(2,3)25(4,5)24-14-15-7-6-8-18(11-15)23-19-12-17(21)10-9-16(19)13-22-23;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h10-17H,18H2,1-9H3;6-13H,14H2,1-5H3;1-8H3
• InChIKey: AOEHLGAKTZINBM-UHFFFAOYSA-N
• XLogP: 14.41
• TPSA: 109.48 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1135.86
LogP ≤ 5	14.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of [3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 157177450) is [3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for [3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for [3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC(C)(C)[Si](C)(C)OCc1cccc(-n2ncc3ccc(Br)cc32)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3cnn(-c4cccc(CO[Si](C)(C)C(C)(C)C)c4)c3c2)OC1(C)C.

What is the InChIKey of [3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is AOEHLGAKTZINBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37BN2O3Si.C20H25BrN2OSi.C12H24B2O4/c1-24(2,3)33(8,9)30-18-19-11-10-12-22(15-19)29-23-16-21(14-13-20(23)17-28-29)27-31-25(4,5)26(6,7)32-27;1-20(2,3)25(4,5)24-14-15-7-6-8-18(11-15)23-19-12-17(21)10-9-16(19)13-22-23;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h10-17H,18H2,1-9H3;6-13H,14H2,1-5H3;1-8H3.

What are the key properties of [3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

[3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1135.86 g/mol, XLogP of 14.41, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 157177450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).