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

C18H20BNO2 — CID 67070134

IUPAC3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
SMILESCC1(C)OB(c2ccc3[nH]c4ccccc4c3c2)OC1(C)C
InChIInChI=1S/C18H20BNO2/c1-17(2)18(3,4)22-19(21-17)12-9-10-16-14(11-12)13-7-5-6-8-15(13)20-16/h5-11,20H,1-4H3
InChIKeyARVCVPGNHWNNAF-UHFFFAOYSA-N
MW293.18 g/mol
LogP3.62
Rot. Bonds1

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

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole (PubChem CID 67070134) has the molecular formula C18H20BNO2 and a molecular weight of 293.18 g/mol. Its IUPAC name is 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole.

Molecular Properties

Compound Name3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
PubChem CID67070134
Molecular FormulaC18H20BNO2
Molecular Weight293.18 g/mol
Exact Mass293.16
IUPAC Name3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
SMILESCC1(C)OB(c2ccc3[nH]c4ccccc4c3c2)OC1(C)C
InChIInChI=1S/C18H20BNO2/c1-17(2)18(3,4)22-19(21-17)12-9-10-16-14(11-12)13-7-5-6-8-15(13)20-16/h5-11,20H,1-4H3
InChIKeyARVCVPGNHWNNAF-UHFFFAOYSA-N
XLogP3.62
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.18
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole?
The IUPAC name of 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole (CID 67070134) is 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole.
What is the SMILES notation for 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole?
The canonical SMILES for 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole is CC1(C)OB(c2ccc3[nH]c4ccccc4c3c2)OC1(C)C.
What is the InChIKey of 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole?
The InChIKey is ARVCVPGNHWNNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BNO2/c1-17(2)18(3,4)22-19(21-17)12-9-10-16-14(11-12)13-7-5-6-8-15(13)20-16/h5-11,20H,1-4H3.
What are the key properties of 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole?
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole has a molecular weight of 293.18 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole is sourced from PubChem (CID 67070134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).