(4-dibenzofuran-4-ylnaphthalen-1-yl)boronic acid

C22H15BO3 — CID 155730533

IUPAC(4-dibenzofuran-4-ylnaphthalen-1-yl)boronic acid
SMILESOB(O)c1ccc(-c2cccc3c2oc2ccccc23)c2ccccc12
InChIInChI=1S/C22H15BO3/c24-23(25)20-13-12-15(14-6-1-2-7-16(14)20)18-9-5-10-19-17-8-3-4-11-21(17)26-22(18)19/h1-13,24-25H
InChIKeyLVXRKQBOUDITRQ-UHFFFAOYSA-N
MW338.17 g/mol
LogP4.09
Rot. Bonds2

About (4-dibenzofuran-4-ylnaphthalen-1-yl)boronic acid

(4-dibenzofuran-4-ylnaphthalen-1-yl)boronic acid (PubChem CID 155730533) has the molecular formula C22H15BO3 and a molecular weight of 338.17 g/mol. Its IUPAC name is (4-dibenzofuran-4-ylnaphthalen-1-yl)boronic acid.

Molecular Properties

Compound Name(4-dibenzofuran-4-ylnaphthalen-1-yl)boronic acid
PubChem CID155730533
Molecular FormulaC22H15BO3
Molecular Weight338.17 g/mol
Exact Mass338.11
IUPAC Name(4-dibenzofuran-4-ylnaphthalen-1-yl)boronic acid
SMILESOB(O)c1ccc(-c2cccc3c2oc2ccccc23)c2ccccc12
InChIInChI=1S/C22H15BO3/c24-23(25)20-13-12-15(14-6-1-2-7-16(14)20)18-9-5-10-19-17-8-3-4-11-21(17)26-22(18)19/h1-13,24-25H
InChIKeyLVXRKQBOUDITRQ-UHFFFAOYSA-N
XLogP4.09
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromoaniline;4-(4-dibenzofuran-4-ylnaphthalen-1-yl)aniline;(4-dibenzofuran-4-ylnaphthalen-1-yl)boronic acid
CID 167676389
naphtho[1,2-b][1]benzofuran-4-ylboronic acid
CID 142752835
(6-dibenzofuran-4-yldibenzothiophen-4-yl)boronic acid
CID 162462207
1-dibenzofuran-4-yl-4-(1-methyldibenzofuran-4-yl)dibenzofuran
CID 153447937
1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran
CID 153447877
1-bromo-6-naphthalen-1-yldibenzofuran;(6-naphthalen-1-yldibenzofuran-1-yl)boronic acid
CID 159775493
5-bromo-2-dibenzofuran-4-ylbenzoic acid
CID 122634670
4-bromo-6-dibenzofuran-4-yldibenzofuran
CID 147905511
5-(3-bromophenyl)naphtho[1,2-b][1]benzofuran;naphtho[1,2-b][1]benzofuran-5-ylboronic acid
CID 161013729
4-[4-[10-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 176639395
dibenzofuran-4-ylboronic acid;methyl 2-dibenzofuran-4-ylbenzoate;methyl 2-iodobenzoate
CID 158331377
(8-dibenzofuran-4-yldibenzofuran-2-yl)boronic acid
CID 168908514

Frequently Asked Questions

What is the IUPAC name of (4-dibenzofuran-4-ylnaphthalen-1-yl)boronic acid?
The IUPAC name of (4-dibenzofuran-4-ylnaphthalen-1-yl)boronic acid (CID 155730533) is (4-dibenzofuran-4-ylnaphthalen-1-yl)boronic acid.
What is the SMILES notation for (4-dibenzofuran-4-ylnaphthalen-1-yl)boronic acid?
The canonical SMILES for (4-dibenzofuran-4-ylnaphthalen-1-yl)boronic acid is OB(O)c1ccc(-c2cccc3c2oc2ccccc23)c2ccccc12.
What is the InChIKey of (4-dibenzofuran-4-ylnaphthalen-1-yl)boronic acid?
The InChIKey is LVXRKQBOUDITRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BO3/c24-23(25)20-13-12-15(14-6-1-2-7-16(14)20)18-9-5-10-19-17-8-3-4-11-21(17)26-22(18)19/h1-13,24-25H.
What are the key properties of (4-dibenzofuran-4-ylnaphthalen-1-yl)boronic acid?
(4-dibenzofuran-4-ylnaphthalen-1-yl)boronic acid has a molecular weight of 338.17 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-dibenzofuran-4-ylnaphthalen-1-yl)boronic acid is sourced from PubChem (CID 155730533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).