9-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

C20H24BNO2 — CID 71306544

IUPAC9-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILESCCn1c2ccccc2c2cc(B3OC(C)(C)C(C)(C)O3)ccc21
InChIInChI=1S/C20H24BNO2/c1-6-22-17-10-8-7-9-15(17)16-13-14(11-12-18(16)22)21-23-19(2,3)20(4,5)24-21/h7-13H,6H2,1-5H3
InChIKeyWZHQDHUWGUPVQF-UHFFFAOYSA-N
MW321.23 g/mol
LogP4.11
Rot. Bonds2

About 9-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

9-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (PubChem CID 71306544) has the molecular formula C20H24BNO2 and a molecular weight of 321.23 g/mol. Its IUPAC name is 9-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.

Molecular Properties

Compound Name9-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
PubChem CID71306544
Molecular FormulaC20H24BNO2
Molecular Weight321.23 g/mol
Exact Mass321.19
IUPAC Name9-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILESCCn1c2ccccc2c2cc(B3OC(C)(C)C(C)(C)O3)ccc21
InChIInChI=1S/C20H24BNO2/c1-6-22-17-10-8-7-9-15(17)16-13-14(11-12-18(16)22)21-23-19(2,3)20(4,5)24-21/h7-13H,6H2,1-5H3
InChIKeyWZHQDHUWGUPVQF-UHFFFAOYSA-N
XLogP4.11
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.23
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The IUPAC name of 9-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (CID 71306544) is 9-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.
What is the SMILES notation for 9-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The canonical SMILES for 9-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is CCn1c2ccccc2c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.
What is the InChIKey of 9-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The InChIKey is WZHQDHUWGUPVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BNO2/c1-6-22-17-10-8-7-9-15(17)16-13-14(11-12-18(16)22)21-23-19(2,3)20(4,5)24-21/h7-13H,6H2,1-5H3.
What are the key properties of 9-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
9-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole has a molecular weight of 321.23 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is sourced from PubChem (CID 71306544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).