(8-dibenzofuran-4-yldibenzofuran-2-yl)boronic acid

C24H15BO4 — CID 168908514

IUPAC(8-dibenzofuran-4-yldibenzofuran-2-yl)boronic acid
SMILESOB(O)c1ccc2oc3ccc(-c4cccc5c4oc4ccccc45)cc3c2c1
InChIInChI=1S/C24H15BO4/c26-25(27)15-9-11-23-20(13-15)19-12-14(8-10-22(19)28-23)16-5-3-6-18-17-4-1-2-7-21(17)29-24(16)18/h1-13,26-27H
InChIKeyATFYJUDUZQOYKY-UHFFFAOYSA-N
MW378.19 g/mol
LogP4.83
Rot. Bonds2

About (8-dibenzofuran-4-yldibenzofuran-2-yl)boronic acid

(8-dibenzofuran-4-yldibenzofuran-2-yl)boronic acid (PubChem CID 168908514) has the molecular formula C24H15BO4 and a molecular weight of 378.19 g/mol. Its IUPAC name is (8-dibenzofuran-4-yldibenzofuran-2-yl)boronic acid.

Molecular Properties

Compound Name(8-dibenzofuran-4-yldibenzofuran-2-yl)boronic acid
PubChem CID168908514
Molecular FormulaC24H15BO4
Molecular Weight378.19 g/mol
Exact Mass378.11
IUPAC Name(8-dibenzofuran-4-yldibenzofuran-2-yl)boronic acid
SMILESOB(O)c1ccc2oc3ccc(-c4cccc5c4oc4ccccc45)cc3c2c1
InChIInChI=1S/C24H15BO4/c26-25(27)15-9-11-23-20(13-15)19-12-14(8-10-22(19)28-23)16-5-3-6-18-17-4-1-2-7-21(17)29-24(16)18/h1-13,26-27H
InChIKeyATFYJUDUZQOYKY-UHFFFAOYSA-N
XLogP4.83
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.19
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(8-dibenzofuran-4-yldibenzothiophen-2-yl)boronic acid
CID 141395438
(7-dibenzofuran-2-yldibenzofuran-3-yl)boronic acid
CID 168908513
(6-dibenzofuran-2-ylnaphthalen-2-yl)boronic acid
CID 67422872
(8-dibenzothiophen-4-yldibenzofuran-2-yl)boronic acid
CID 141395434
[3-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)phenyl]boronic acid
CID 166096567
6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 135208580
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
2,4-dichloro-6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 168908527
7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 149458315
2-[4-[(4-dibenzofuran-4-ylphenyl)methyl]phenyl]dibenzofuran
CID 159612507
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(3-phenylphenyl)aniline;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline
CID 157477199
10-dibenzofuran-2-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine
CID 121441802

Frequently Asked Questions

What is the IUPAC name of (8-dibenzofuran-4-yldibenzofuran-2-yl)boronic acid?
The IUPAC name of (8-dibenzofuran-4-yldibenzofuran-2-yl)boronic acid (CID 168908514) is (8-dibenzofuran-4-yldibenzofuran-2-yl)boronic acid.
What is the SMILES notation for (8-dibenzofuran-4-yldibenzofuran-2-yl)boronic acid?
The canonical SMILES for (8-dibenzofuran-4-yldibenzofuran-2-yl)boronic acid is OB(O)c1ccc2oc3ccc(-c4cccc5c4oc4ccccc45)cc3c2c1.
What is the InChIKey of (8-dibenzofuran-4-yldibenzofuran-2-yl)boronic acid?
The InChIKey is ATFYJUDUZQOYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BO4/c26-25(27)15-9-11-23-20(13-15)19-12-14(8-10-22(19)28-23)16-5-3-6-18-17-4-1-2-7-21(17)29-24(16)18/h1-13,26-27H.
What are the key properties of (8-dibenzofuran-4-yldibenzofuran-2-yl)boronic acid?
(8-dibenzofuran-4-yldibenzofuran-2-yl)boronic acid has a molecular weight of 378.19 g/mol, XLogP of 4.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-dibenzofuran-4-yldibenzofuran-2-yl)boronic acid is sourced from PubChem (CID 168908514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).