9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole

C24H24BNO2 — CID 58690899

IUPAC9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
SMILESCC1(C)OB(c2cccc(-n3c4ccccc4c4ccccc43)c2)OC1(C)C
InChIInChI=1S/C24H24BNO2/c1-23(2)24(3,4)28-25(27-23)17-10-9-11-18(16-17)26-21-14-7-5-12-19(21)20-13-6-8-15-22(20)26/h5-16H,1-4H3
InChIKeyYWLGYAZJWNLVKB-UHFFFAOYSA-N
MW369.27 g/mol
LogP5.08
Rot. Bonds2

About 9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole

9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole (PubChem CID 58690899) has the molecular formula C24H24BNO2 and a molecular weight of 369.27 g/mol. Its IUPAC name is 9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
PubChem CID58690899
Molecular FormulaC24H24BNO2
Molecular Weight369.27 g/mol
Exact Mass369.19
IUPAC Name9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
SMILESCC1(C)OB(c2cccc(-n3c4ccccc4c4ccccc43)c2)OC1(C)C
InChIInChI=1S/C24H24BNO2/c1-23(2)24(3,4)28-25(27-23)17-10-9-11-18(16-17)26-21-14-7-5-12-19(21)20-13-6-8-15-22(20)26/h5-16H,1-4H3
InChIKeyYWLGYAZJWNLVKB-UHFFFAOYSA-N
XLogP5.08
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.27
LogP ≤ 55.08
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-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
The IUPAC name of 9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole (CID 58690899) is 9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole is CC1(C)OB(c2cccc(-n3c4ccccc4c4ccccc43)c2)OC1(C)C.
What is the InChIKey of 9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
The InChIKey is YWLGYAZJWNLVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BNO2/c1-23(2)24(3,4)28-25(27-23)17-10-9-11-18(16-17)26-21-14-7-5-12-19(21)20-13-6-8-15-22(20)26/h5-16H,1-4H3.
What are the key properties of 9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole has a molecular weight of 369.27 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole is sourced from PubChem (CID 58690899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).