9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-3-yl]carbazole

C30H26BNO2S — CID 170671268

About 9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-3-yl]carbazole

9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-3-yl]carbazole (PubChem CID 170671268) has the molecular formula C30H26BNO2S and a molecular weight of 475.42 g/mol. Its IUPAC name is 9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-3-yl]carbazole.

Molecular Properties

• Compound Name: 9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-3-yl]carbazole
• PubChem CID: 170671268
• Molecular Formula: C30H26BNO2S
• Molecular Weight: 475.42 g/mol
• Exact Mass: 475.18
• IUPAC Name: 9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-3-yl]carbazole
• SMILES: CC1(C)OB(c2ccc3c(c2)sc2cc(-n4c5ccccc5c5ccccc54)ccc23)OC1(C)C
• InChI: InChI=1S/C30H26BNO2S/c1-29(2)30(3,4)34-31(33-29)19-13-15-23-24-16-14-20(18-28(24)35-27(23)17-19)32-25-11-7-5-9-21(25)22-10-6-8-12-26(22)32/h5-18H,1-4H3
• InChIKey: JXIZTNAMAYPZJY-UHFFFAOYSA-N
• XLogP: 7.45
• TPSA: 23.39 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.42
LogP ≤ 5	7.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-3-yl]carbazole?

The IUPAC name of 9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-3-yl]carbazole (CID 170671268) is 9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-3-yl]carbazole.

What is the SMILES notation for 9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-3-yl]carbazole?

The canonical SMILES for 9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-3-yl]carbazole is CC1(C)OB(c2ccc3c(c2)sc2cc(-n4c5ccccc5c5ccccc54)ccc23)OC1(C)C.

What is the InChIKey of 9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-3-yl]carbazole?

The InChIKey is JXIZTNAMAYPZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26BNO2S/c1-29(2)30(3,4)34-31(33-29)19-13-15-23-24-16-14-20(18-28(24)35-27(23)17-19)32-25-11-7-5-9-21(25)22-10-6-8-12-26(22)32/h5-18H,1-4H3.

What are the key properties of 9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-3-yl]carbazole?

9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-3-yl]carbazole has a molecular weight of 475.42 g/mol, XLogP of 7.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-3-yl]carbazole is sourced from PubChem (CID 170671268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).