[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]boronic acid

C14H11BO2S2 — CID 101473229

IUPAC[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]boronic acid
SMILESOB(O)c1ccc(-c2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C14H11BO2S2/c16-15(17)11-5-3-10(4-6-11)12-7-8-14(19-12)13-2-1-9-18-13/h1-9,16-17H
InChIKeyXJVNPCUIXBHPSQ-UHFFFAOYSA-N
MW286.19 g/mol
LogP2.82
Rot. Bonds3

About [4-(5-thiophen-2-ylthiophen-2-yl)phenyl]boronic acid

[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]boronic acid (PubChem CID 101473229) has the molecular formula C14H11BO2S2 and a molecular weight of 286.19 g/mol. Its IUPAC name is [4-(5-thiophen-2-ylthiophen-2-yl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]boronic acid
PubChem CID101473229
Molecular FormulaC14H11BO2S2
Molecular Weight286.19 g/mol
Exact Mass286.03
IUPAC Name[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]boronic acid
SMILESOB(O)c1ccc(-c2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C14H11BO2S2/c16-15(17)11-5-3-10(4-6-11)12-7-8-14(19-12)13-2-1-9-18-13/h1-9,16-17H
InChIKeyXJVNPCUIXBHPSQ-UHFFFAOYSA-N
XLogP2.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 52.82
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

molecular hydrogen;(4-thiophen-2-ylphenyl)boronic acid
CID 159563818
[4-(5-phenylthiophen-2-yl)phenyl]boronic acid
CID 58281759
2-(4-prop-1-en-2-ylphenyl)-5-thiophen-2-ylthiophene
CID 139982091
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
4-N-(4-aminophenyl)-4-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]benzene-1,4-diamine
CID 102055550
2-thiophen-2-yl-5-[6-(5-thiophen-2-ylthiophen-2-yl)anthracen-2-yl]thiophene
CID 23596942
2-thiophen-2-yl-5-[4-(2,2,2-trifluoroethyl)phenyl]thiophene
CID 163635945
2-[4-(N-[4-[5-[5-[4-[4-(2-hydroxyethyl)-N-(4-thiophen-2-ylphenyl)anilino]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-thiophen-2-ylanilino)phenyl]ethanol
CID 59863802
[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methanol
CID 15838027
N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]anilino]phenyl]anilino]phenyl]-N-methylaniline
CID 58825535
2-[3-(4-methoxyphenyl)-5-(5-thiophen-2-ylthiophen-2-yl)phenyl]-5-thiophen-2-ylthiophene
CID 25194683
2-(3,5-diethylphenyl)-5-thiophen-2-ylthiophene
CID 141257815

Frequently Asked Questions

What is the IUPAC name of [4-(5-thiophen-2-ylthiophen-2-yl)phenyl]boronic acid?
The IUPAC name of [4-(5-thiophen-2-ylthiophen-2-yl)phenyl]boronic acid (CID 101473229) is [4-(5-thiophen-2-ylthiophen-2-yl)phenyl]boronic acid.
What is the SMILES notation for [4-(5-thiophen-2-ylthiophen-2-yl)phenyl]boronic acid?
The canonical SMILES for [4-(5-thiophen-2-ylthiophen-2-yl)phenyl]boronic acid is OB(O)c1ccc(-c2ccc(-c3cccs3)s2)cc1.
What is the InChIKey of [4-(5-thiophen-2-ylthiophen-2-yl)phenyl]boronic acid?
The InChIKey is XJVNPCUIXBHPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BO2S2/c16-15(17)11-5-3-10(4-6-11)12-7-8-14(19-12)13-2-1-9-18-13/h1-9,16-17H.
What are the key properties of [4-(5-thiophen-2-ylthiophen-2-yl)phenyl]boronic acid?
[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]boronic acid has a molecular weight of 286.19 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-thiophen-2-ylthiophen-2-yl)phenyl]boronic acid is sourced from PubChem (CID 101473229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).