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

C19H22BNO2 — CID 56924967

IUPAC9-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILESCn1c2ccccc2c2cc(B3OC(C)(C)C(C)(C)O3)ccc21
InChIInChI=1S/C19H22BNO2/c1-18(2)19(3,4)23-20(22-18)13-10-11-17-15(12-13)14-8-6-7-9-16(14)21(17)5/h6-12H,1-5H3
InChIKeyAVCKYKVGQYBADD-UHFFFAOYSA-N
MW307.20 g/mol
LogP3.63
Rot. Bonds1

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

9-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (PubChem CID 56924967) has the molecular formula C19H22BNO2 and a molecular weight of 307.20 g/mol. Its IUPAC name is 9-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.

Molecular Properties

Compound Name9-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
PubChem CID56924967
Molecular FormulaC19H22BNO2
Molecular Weight307.20 g/mol
Exact Mass307.17
IUPAC Name9-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILESCn1c2ccccc2c2cc(B3OC(C)(C)C(C)(C)O3)ccc21
InChIInChI=1S/C19H22BNO2/c1-18(2)19(3,4)23-20(22-18)13-10-11-17-15(12-13)14-8-6-7-9-16(14)21(17)5/h6-12H,1-5H3
InChIKeyAVCKYKVGQYBADD-UHFFFAOYSA-N
XLogP3.63
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 53.63
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-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The IUPAC name of 9-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (CID 56924967) is 9-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.
What is the SMILES notation for 9-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The canonical SMILES for 9-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is Cn1c2ccccc2c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.
What is the InChIKey of 9-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The InChIKey is AVCKYKVGQYBADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BNO2/c1-18(2)19(3,4)23-20(22-18)13-10-11-17-15(12-13)14-8-6-7-9-16(14)21(17)5/h6-12H,1-5H3.
What are the key properties of 9-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
9-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole has a molecular weight of 307.20 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is sourced from PubChem (CID 56924967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).