[5-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane

C23H37BClNO2Si — CID 54671452

IUPAC[5-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(B2OC(C)(C)C(C)(C)O2)c2cc(Cl)ccc21
InChIInChI=1S/C23H37BClNO2Si/c1-15(2)29(16(3)4,17(5)6)26-14-20(19-13-18(25)11-12-21(19)26)24-27-22(7,8)23(9,10)28-24/h11-17H,1-10H3
InChIKeyASACENASMVBJRN-UHFFFAOYSA-N
MW433.91 g/mol
LogP6.62
Rot. Bonds5

About [5-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane

[5-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane (PubChem CID 54671452) has the molecular formula C23H37BClNO2Si and a molecular weight of 433.91 g/mol. Its IUPAC name is [5-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[5-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane
PubChem CID54671452
Molecular FormulaC23H37BClNO2Si
Molecular Weight433.91 g/mol
Exact Mass433.24
IUPAC Name[5-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(B2OC(C)(C)C(C)(C)O2)c2cc(Cl)ccc21
InChIInChI=1S/C23H37BClNO2Si/c1-15(2)29(16(3)4,17(5)6)26-14-20(19-13-18(25)11-12-21(19)26)24-27-22(7,8)23(9,10)28-24/h11-17H,1-10H3
InChIKeyASACENASMVBJRN-UHFFFAOYSA-N
XLogP6.62
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.91
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [5-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane?
The IUPAC name of [5-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane (CID 54671452) is [5-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [5-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [5-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)n1cc(B2OC(C)(C)C(C)(C)O2)c2cc(Cl)ccc21.
What is the InChIKey of [5-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane?
The InChIKey is ASACENASMVBJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37BClNO2Si/c1-15(2)29(16(3)4,17(5)6)26-14-20(19-13-18(25)11-12-21(19)26)24-27-22(7,8)23(9,10)28-24/h11-17H,1-10H3.
What are the key properties of [5-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane?
[5-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane has a molecular weight of 433.91 g/mol, XLogP of 6.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 54671452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).