(7-dibenzofuran-2-yldibenzofuran-3-yl)boronic acid

C24H15BO4 — CID 168908513

IUPAC(7-dibenzofuran-2-yldibenzofuran-3-yl)boronic acid
SMILESOB(O)c1ccc2c(c1)oc1cc(-c3ccc4oc5ccccc5c4c3)ccc12
InChIInChI=1S/C24H15BO4/c26-25(27)16-7-9-19-18-8-5-15(12-23(18)29-24(19)13-16)14-6-10-22-20(11-14)17-3-1-2-4-21(17)28-22/h1-13,26-27H
InChIKeyCXFNQQGBUJQNBK-UHFFFAOYSA-N
MW378.19 g/mol
LogP4.83
Rot. Bonds2

About (7-dibenzofuran-2-yldibenzofuran-3-yl)boronic acid

(7-dibenzofuran-2-yldibenzofuran-3-yl)boronic acid (PubChem CID 168908513) has the molecular formula C24H15BO4 and a molecular weight of 378.19 g/mol. Its IUPAC name is (7-dibenzofuran-2-yldibenzofuran-3-yl)boronic acid.

Molecular Properties

Compound Name(7-dibenzofuran-2-yldibenzofuran-3-yl)boronic acid
PubChem CID168908513
Molecular FormulaC24H15BO4
Molecular Weight378.19 g/mol
Exact Mass378.11
IUPAC Name(7-dibenzofuran-2-yldibenzofuran-3-yl)boronic acid
SMILESOB(O)c1ccc2c(c1)oc1cc(-c3ccc4oc5ccccc5c4c3)ccc12
InChIInChI=1S/C24H15BO4/c26-25(27)16-7-9-19-18-8-5-15(12-23(18)29-24(19)13-16)14-6-10-22-20(11-14)17-3-1-2-4-21(17)28-22/h1-13,26-27H
InChIKeyCXFNQQGBUJQNBK-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

(6-dibenzofuran-2-ylnaphthalen-2-yl)boronic acid
CID 67422872
CID 158475904
CID 158475904
(8-dibenzofuran-4-yldibenzofuran-2-yl)boronic acid
CID 168908514
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
6-[8-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)dibenzofuran-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 142487676
(4-dibenzofuran-3-yl-3,5-diphenylphenyl)boronic acid
CID 177108214
2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
CID 118490746
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
6-[3-(3-triphenylen-2-ylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 163594432
6-[3,5-bis(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)phenyl]-18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)boronic acid;1,3,5-tribromobenzene
CID 160506198
6-[3,5-bis(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)phenyl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;methane;(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)boronic acid;1,3,5-tribromobenzene
CID 161452379
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288

Frequently Asked Questions

What is the IUPAC name of (7-dibenzofuran-2-yldibenzofuran-3-yl)boronic acid?
The IUPAC name of (7-dibenzofuran-2-yldibenzofuran-3-yl)boronic acid (CID 168908513) is (7-dibenzofuran-2-yldibenzofuran-3-yl)boronic acid.
What is the SMILES notation for (7-dibenzofuran-2-yldibenzofuran-3-yl)boronic acid?
The canonical SMILES for (7-dibenzofuran-2-yldibenzofuran-3-yl)boronic acid is OB(O)c1ccc2c(c1)oc1cc(-c3ccc4oc5ccccc5c4c3)ccc12.
What is the InChIKey of (7-dibenzofuran-2-yldibenzofuran-3-yl)boronic acid?
The InChIKey is CXFNQQGBUJQNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BO4/c26-25(27)16-7-9-19-18-8-5-15(12-23(18)29-24(19)13-16)14-6-10-22-20(11-14)17-3-1-2-4-21(17)28-22/h1-13,26-27H.
What are the key properties of (7-dibenzofuran-2-yldibenzofuran-3-yl)boronic acid?
(7-dibenzofuran-2-yldibenzofuran-3-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 (7-dibenzofuran-2-yldibenzofuran-3-yl)boronic acid is sourced from PubChem (CID 168908513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).