9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole

C30H26BNO3 — CID 156903324

About 9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole

9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole (PubChem CID 156903324) has the molecular formula C30H26BNO3 and a molecular weight of 459.35 g/mol. Its IUPAC name is 9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole.

Molecular Properties

• Compound Name: 9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole
• PubChem CID: 156903324
• Molecular Formula: C30H26BNO3
• Molecular Weight: 459.35 g/mol
• Exact Mass: 459.20
• IUPAC Name: 9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole
• SMILES: CC1(C)OB(c2cccc3c2oc2cccc(-n4c5ccccc5c5ccccc54)c23)OC1(C)C
• InChI: InChI=1S/C30H26BNO3/c1-29(2)30(3,4)35-31(34-29)22-14-9-13-21-27-25(17-10-18-26(27)33-28(21)22)32-23-15-7-5-11-19(23)20-12-6-8-16-24(20)32/h5-18H,1-4H3
• InChIKey: SFVLXIKFMGOHRQ-UHFFFAOYSA-N
• XLogP: 6.98
• TPSA: 36.53 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.35
LogP ≤ 5	6.98
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-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole?

The IUPAC name of 9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole (CID 156903324) is 9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole.

What is the SMILES notation for 9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole?

The canonical SMILES for 9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole is CC1(C)OB(c2cccc3c2oc2cccc(-n4c5ccccc5c5ccccc54)c23)OC1(C)C.

What is the InChIKey of 9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole?

The InChIKey is SFVLXIKFMGOHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26BNO3/c1-29(2)30(3,4)35-31(34-29)22-14-9-13-21-27-25(17-10-18-26(27)33-28(21)22)32-23-15-7-5-11-19(23)20-12-6-8-16-24(20)32/h5-18H,1-4H3.

What are the key properties of 9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole?

9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole has a molecular weight of 459.35 g/mol, XLogP of 6.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole is sourced from PubChem (CID 156903324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).