[1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid;7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5,7-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

C118H156B8ClF3N8O17Si — CID 157099945

About [1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid;7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5,7-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

[1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid;7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5,7-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (PubChem CID 157099945) has the molecular formula C118H156B8ClF3N8O17Si and a molecular weight of 2165.61 g/mol. Its IUPAC name is [1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid;7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5,7-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole.

Molecular Properties

• Compound Name: [1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid;7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5,7-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
• PubChem CID: 157099945
• Molecular Formula: C118H156B8ClF3N8O17Si
• Molecular Weight: 2165.61 g/mol
• Exact Mass: 2165.17
• IUPAC Name: [1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid;7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5,7-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
• SMILES: CC(C)(C)[Si](C)(C)n1ccc2c(B(O)O)c(F)ccc21.CC1(C)OB(c2ccc(Cl)c3[nH]ccc23)OC1(C)C.CC1(C)OB(c2ccc(F)c3[nH]ccc23)OC1(C)C.COc1ccc(B2OC(C)(C)C(C)(C)O2)c2cc[nH]c12.Cc1c[nH]c2cccc(B3OC(C)(C)C(C)(C)O3)c12.Cc1cc(C)c2[nH]ccc2c1B1OC(C)(C)C(C)(C)O1.Cc1cc(F)c2[nH]ccc2c1B1OC(C)(C)C(C)(C)O1.Cc1ccc2[nH]ccc2c1B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C16H22BNO2.C15H19BFNO2.C15H20BNO3.2C15H20BNO2.C14H17BClNO2.C14H21BFNO2Si.C14H17BFNO2/c1-10-9-11(2)14-12(7-8-18-14)13(10)17-19-15(3,4)16(5,6)20-17;1-9-8-11(17)13-10(6-7-18-13)12(9)16-19-14(2,3)15(4,5)20-16;1-14(2)15(3,4)20-16(19-14)11-6-7-12(18-5)13-10(11)8-9-17-13;1-10-6-7-12-11(8-9-17-12)13(10)16-18-14(2,3)15(4,5)19-16;1-10-9-17-12-8-6-7-11(13(10)12)16-18-14(2,3)15(4,5)19-16;1-13(2)14(3,4)19-15(18-13)10-5-6-11(16)12-9(10)7-8-17-12;1-14(2,3)20(4,5)17-9-8-10-12(17)7-6-11(16)13(10)15(18)19;1-13(2)14(3,4)19-15(18-13)10-5-6-11(16)12-9(10)7-8-17-12/h7-9,18H,1-6H3;6-8,18H,1-5H3;6-9,17H,1-5H3;2*6-9,17H,1-5H3;5-8,17H,1-4H3;6-9,18-19H,1-5H3;5-8,17H,1-4H3
• InChIKey: AFQMDXZHELTIKD-UHFFFAOYSA-N
• XLogP: 22.07
• TPSA: 294.37 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2165.61
LogP ≤ 5	22.07
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid;7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5,7-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?

The IUPAC name of [1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid;7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5,7-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (CID 157099945) is [1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid;7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5,7-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole.

What is the SMILES notation for [1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid;7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5,7-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?

The canonical SMILES for [1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid;7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5,7-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole is CC(C)(C)[Si](C)(C)n1ccc2c(B(O)O)c(F)ccc21.CC1(C)OB(c2ccc(Cl)c3[nH]ccc23)OC1(C)C.CC1(C)OB(c2ccc(F)c3[nH]ccc23)OC1(C)C.COc1ccc(B2OC(C)(C)C(C)(C)O2)c2cc[nH]c12.Cc1c[nH]c2cccc(B3OC(C)(C)C(C)(C)O3)c12.Cc1cc(C)c2[nH]ccc2c1B1OC(C)(C)C(C)(C)O1.Cc1cc(F)c2[nH]ccc2c1B1OC(C)(C)C(C)(C)O1.Cc1ccc2[nH]ccc2c1B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of [1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid;7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5,7-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?

The InChIKey is AFQMDXZHELTIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BNO2.C15H19BFNO2.C15H20BNO3.2C15H20BNO2.C14H17BClNO2.C14H21BFNO2Si.C14H17BFNO2/c1-10-9-11(2)14-12(7-8-18-14)13(10)17-19-15(3,4)16(5,6)20-17;1-9-8-11(17)13-10(6-7-18-13)12(9)16-19-14(2,3)15(4,5)20-16;1-14(2)15(3,4)20-16(19-14)11-6-7-12(18-5)13-10(11)8-9-17-13;1-10-6-7-12-11(8-9-17-12)13(10)16-18-14(2,3)15(4,5)19-16;1-10-9-17-12-8-6-7-11(13(10)12)16-18-14(2,3)15(4,5)19-16;1-13(2)14(3,4)19-15(18-13)10-5-6-11(16)12-9(10)7-8-17-12;1-14(2,3)20(4,5)17-9-8-10-12(17)7-6-11(16)13(10)15(18)19;1-13(2)14(3,4)19-15(18-13)10-5-6-11(16)12-9(10)7-8-17-12/h7-9,18H,1-6H3;6-8,18H,1-5H3;6-9,17H,1-5H3;2*6-9,17H,1-5H3;5-8,17H,1-4H3;6-9,18-19H,1-5H3;5-8,17H,1-4H3.

What are the key properties of [1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid;7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5,7-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?

[1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid;7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5,7-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole has a molecular weight of 2165.61 g/mol, XLogP of 22.07, 10 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid;7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5,7-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole is sourced from PubChem (CID 157099945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).