(6-dibenzofuran-2-ylnaphthalen-2-yl)boronic acid

C22H15BO3 — CID 67422872

IUPAC(6-dibenzofuran-2-ylnaphthalen-2-yl)boronic acid
SMILESOB(O)c1ccc2cc(-c3ccc4oc5ccccc5c4c3)ccc2c1
InChIInChI=1S/C22H15BO3/c24-23(25)18-9-7-15-11-14(5-6-16(15)12-18)17-8-10-22-20(13-17)19-3-1-2-4-21(19)26-22/h1-13,24-25H
InChIKeyZZDZPFVMPRNHEB-UHFFFAOYSA-N
MW338.17 g/mol
LogP4.09
Rot. Bonds2

About (6-dibenzofuran-2-ylnaphthalen-2-yl)boronic acid

(6-dibenzofuran-2-ylnaphthalen-2-yl)boronic acid (PubChem CID 67422872) has the molecular formula C22H15BO3 and a molecular weight of 338.17 g/mol. Its IUPAC name is (6-dibenzofuran-2-ylnaphthalen-2-yl)boronic acid.

Molecular Properties

Compound Name(6-dibenzofuran-2-ylnaphthalen-2-yl)boronic acid
PubChem CID67422872
Molecular FormulaC22H15BO3
Molecular Weight338.17 g/mol
Exact Mass338.11
IUPAC Name(6-dibenzofuran-2-ylnaphthalen-2-yl)boronic acid
SMILESOB(O)c1ccc2cc(-c3ccc4oc5ccccc5c4c3)ccc2c1
InChIInChI=1S/C22H15BO3/c24-23(25)18-9-7-15-11-14(5-6-16(15)12-18)17-8-10-22-20(13-17)19-3-1-2-4-21(19)26-22/h1-13,24-25H
InChIKeyZZDZPFVMPRNHEB-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

(7-dibenzofuran-2-yldibenzofuran-3-yl)boronic acid
CID 168908513
(8-dibenzofuran-4-yldibenzofuran-2-yl)boronic acid
CID 168908514
2-[4-[6-(4-fluorophenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 169293505
dibenzofuran-2-ylboronic acid;2,4-dichloro-6-(3-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 159291210
4-[4-(6-dibenzofuran-2-ylnaphthalen-2-yl)phenyl]pyridine
CID 171056412
2-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran
CID 58569083
2-(3-chloro-5-naphthalen-2-ylphenyl)dibenzofuran
CID 171585736
CID 158475904
CID 158475904
3-naphthalen-2-yldibenzofuran
CID 68932481
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 121325434
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 177119766
[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]boronic acid
CID 70661114

Frequently Asked Questions

What is the IUPAC name of (6-dibenzofuran-2-ylnaphthalen-2-yl)boronic acid?
The IUPAC name of (6-dibenzofuran-2-ylnaphthalen-2-yl)boronic acid (CID 67422872) is (6-dibenzofuran-2-ylnaphthalen-2-yl)boronic acid.
What is the SMILES notation for (6-dibenzofuran-2-ylnaphthalen-2-yl)boronic acid?
The canonical SMILES for (6-dibenzofuran-2-ylnaphthalen-2-yl)boronic acid is OB(O)c1ccc2cc(-c3ccc4oc5ccccc5c4c3)ccc2c1.
What is the InChIKey of (6-dibenzofuran-2-ylnaphthalen-2-yl)boronic acid?
The InChIKey is ZZDZPFVMPRNHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BO3/c24-23(25)18-9-7-15-11-14(5-6-16(15)12-18)17-8-10-22-20(13-17)19-3-1-2-4-21(19)26-22/h1-13,24-25H.
What are the key properties of (6-dibenzofuran-2-ylnaphthalen-2-yl)boronic acid?
(6-dibenzofuran-2-ylnaphthalen-2-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 (6-dibenzofuran-2-ylnaphthalen-2-yl)boronic acid is sourced from PubChem (CID 67422872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).