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

C22H22BNO2 — CID 151324899

IUPAC9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H-benzo[b]carbazole
SMILESCC1(C)OB(c2ccc3cc4[nH]c5ccccc5c4cc3c2)OC1(C)C
InChIInChI=1S/C22H22BNO2/c1-21(2)22(3,4)26-23(25-21)16-10-9-14-13-20-18(12-15(14)11-16)17-7-5-6-8-19(17)24-20/h5-13,24H,1-4H3
InChIKeyOHFOLZWSLLAWRC-UHFFFAOYSA-N
MW343.24 g/mol
LogP4.77
Rot. Bonds1

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

9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H-benzo[b]carbazole (PubChem CID 151324899) has the molecular formula C22H22BNO2 and a molecular weight of 343.24 g/mol. Its IUPAC name is 9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H-benzo[b]carbazole.

Molecular Properties

Compound Name9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H-benzo[b]carbazole
PubChem CID151324899
Molecular FormulaC22H22BNO2
Molecular Weight343.24 g/mol
Exact Mass343.17
IUPAC Name9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H-benzo[b]carbazole
SMILESCC1(C)OB(c2ccc3cc4[nH]c5ccccc5c4cc3c2)OC1(C)C
InChIInChI=1S/C22H22BNO2/c1-21(2)22(3,4)26-23(25-21)16-10-9-14-13-20-18(12-15(14)11-16)17-7-5-6-8-19(17)24-20/h5-13,24H,1-4H3
InChIKeyOHFOLZWSLLAWRC-UHFFFAOYSA-N
XLogP4.77
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-naphtho[2,3-b][1]benzofuran-9-yl-1,3,2-dioxaborolane
CID 140853408
4,4,5,5-tetramethyl-2-naphtho[3,2-b][1]benzofuran-8-yl-1,3,2-dioxaborolane
CID 131744275
8-methyl-5H-benzo[b]carbazole
CID 154982200
CID 88941720
CID 88941720
4,4,5,5-tetramethyl-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-2-yl]-1,3,2-dioxaborolane
CID 58174852
4,4,5,5-tetramethyl-2-(3-naphthalen-2-ylphenyl)-1,3,2-dioxaborolane
CID 164886110
4,4,5,5-tetramethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,2-dioxaborolane
CID 90065843
4,4,5,5-tetramethyl-2-(8-naphthalen-1-ylnaphthalen-2-yl)-1,3,2-dioxaborolane
CID 176598706
4,4,5,5-tetramethyl-2-[3-[3-[6-(2-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-1,3,2-dioxaborolane
CID 174246089
1,2,3-triphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
CID 150282563
4,4,5,5-tetramethyl-2-[6-[2-(2-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-[3-(2-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,2-dioxaborolane
CID 165007467
2-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-carbazol-3-yl)-6-phenylbenzimidazolo[1,2-a]benzimidazole;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
CID 158221439

Frequently Asked Questions

What is the IUPAC name of 9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H-benzo[b]carbazole?
The IUPAC name of 9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H-benzo[b]carbazole (CID 151324899) is 9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H-benzo[b]carbazole.
What is the SMILES notation for 9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H-benzo[b]carbazole?
The canonical SMILES for 9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H-benzo[b]carbazole is CC1(C)OB(c2ccc3cc4[nH]c5ccccc5c4cc3c2)OC1(C)C.
What is the InChIKey of 9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H-benzo[b]carbazole?
The InChIKey is OHFOLZWSLLAWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BNO2/c1-21(2)22(3,4)26-23(25-21)16-10-9-14-13-20-18(12-15(14)11-16)17-7-5-6-8-19(17)24-20/h5-13,24H,1-4H3.
What are the key properties of 9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H-benzo[b]carbazole?
9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H-benzo[b]carbazole has a molecular weight of 343.24 g/mol, XLogP of 4.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H-benzo[b]carbazole is sourced from PubChem (CID 151324899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).