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

C25H26BNO2 — CID 71306542

IUPAC9-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbazole
SMILESCC1(C)OB(c2ccc(Cn3c4ccccc4c4ccccc43)cc2)OC1(C)C
InChIInChI=1S/C25H26BNO2/c1-24(2)25(3,4)29-26(28-24)19-15-13-18(14-16-19)17-27-22-11-7-5-9-20(22)21-10-6-8-12-23(21)27/h5-16H,17H2,1-4H3
InChIKeyAKZHQKVQCWCVBW-UHFFFAOYSA-N
MW383.30 g/mol
LogP5.14
Rot. Bonds3

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

9-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbazole (PubChem CID 71306542) has the molecular formula C25H26BNO2 and a molecular weight of 383.30 g/mol. Its IUPAC name is 9-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbazole.

Molecular Properties

Compound Name9-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbazole
PubChem CID71306542
Molecular FormulaC25H26BNO2
Molecular Weight383.30 g/mol
Exact Mass383.21
IUPAC Name9-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbazole
SMILESCC1(C)OB(c2ccc(Cn3c4ccccc4c4ccccc43)cc2)OC1(C)C
InChIInChI=1S/C25H26BNO2/c1-24(2)25(3,4)29-26(28-24)19-15-13-18(14-16-19)17-27-22-11-7-5-9-20(22)21-10-6-8-12-23(21)27/h5-16H,17H2,1-4H3
InChIKeyAKZHQKVQCWCVBW-UHFFFAOYSA-N
XLogP5.14
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.30
LogP ≤ 55.14
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-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbazole?
The IUPAC name of 9-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbazole (CID 71306542) is 9-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbazole.
What is the SMILES notation for 9-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbazole?
The canonical SMILES for 9-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbazole is CC1(C)OB(c2ccc(Cn3c4ccccc4c4ccccc43)cc2)OC1(C)C.
What is the InChIKey of 9-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbazole?
The InChIKey is AKZHQKVQCWCVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BNO2/c1-24(2)25(3,4)29-26(28-24)19-15-13-18(14-16-19)17-27-22-11-7-5-9-20(22)21-10-6-8-12-23(21)27/h5-16H,17H2,1-4H3.
What are the key properties of 9-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbazole?
9-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbazole has a molecular weight of 383.30 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbazole is sourced from PubChem (CID 71306542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).