2-[7-(1-benzofuran-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C24H23BO3 — CID 177271958

About 2-[7-(1-benzofuran-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[7-(1-benzofuran-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 177271958) has the molecular formula C24H23BO3 and a molecular weight of 370.26 g/mol. Its IUPAC name is 2-[7-(1-benzofuran-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-[7-(1-benzofuran-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 177271958
• Molecular Formula: C24H23BO3
• Molecular Weight: 370.26 g/mol
• Exact Mass: 370.17
• IUPAC Name: 2-[7-(1-benzofuran-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(c2ccc3ccc(-c4cc5ccccc5o4)cc3c2)OC1(C)C
• InChI: InChI=1S/C24H23BO3/c1-23(2)24(3,4)28-25(27-23)20-12-11-16-9-10-18(13-19(16)14-20)22-15-17-7-5-6-8-21(17)26-22/h5-15H,1-4H3
• InChIKey: KUQZMNUUCLBKBG-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 31.60 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.26
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[7-(1-benzofuran-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 2-[7-(1-benzofuran-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 177271958) is 2-[7-(1-benzofuran-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for 2-[7-(1-benzofuran-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for 2-[7-(1-benzofuran-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2ccc3ccc(-c4cc5ccccc5o4)cc3c2)OC1(C)C.

What is the InChIKey of 2-[7-(1-benzofuran-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is KUQZMNUUCLBKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BO3/c1-23(2)24(3,4)28-25(27-23)20-12-11-16-9-10-18(13-19(16)14-20)22-15-17-7-5-6-8-21(17)26-22/h5-15H,1-4H3.

What are the key properties of 2-[7-(1-benzofuran-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

2-[7-(1-benzofuran-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 370.26 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-(1-benzofuran-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 177271958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).