(7-phenyldibenzothiophen-2-yl)boronic acid

C18H13BO2S — CID 141436106

IUPAC(7-phenyldibenzothiophen-2-yl)boronic acid
SMILESOB(O)c1ccc2sc3cc(-c4ccccc4)ccc3c2c1
InChIInChI=1S/C18H13BO2S/c20-19(21)14-7-9-17-16(11-14)15-8-6-13(10-18(15)22-17)12-4-2-1-3-5-12/h1-11,20-21H
InChIKeyYWABLKNIMHDOPD-UHFFFAOYSA-N
MW304.18 g/mol
LogP3.40
Rot. Bonds2

About (7-phenyldibenzothiophen-2-yl)boronic acid

(7-phenyldibenzothiophen-2-yl)boronic acid (PubChem CID 141436106) has the molecular formula C18H13BO2S and a molecular weight of 304.18 g/mol. Its IUPAC name is (7-phenyldibenzothiophen-2-yl)boronic acid.

Molecular Properties

Compound Name(7-phenyldibenzothiophen-2-yl)boronic acid
PubChem CID141436106
Molecular FormulaC18H13BO2S
Molecular Weight304.18 g/mol
Exact Mass304.07
IUPAC Name(7-phenyldibenzothiophen-2-yl)boronic acid
SMILESOB(O)c1ccc2sc3cc(-c4ccccc4)ccc3c2c1
InChIInChI=1S/C18H13BO2S/c20-19(21)14-7-9-17-16(11-14)15-8-6-13(10-18(15)22-17)12-4-2-1-3-5-12/h1-11,20-21H
InChIKeyYWABLKNIMHDOPD-UHFFFAOYSA-N
XLogP3.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 53.40
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

(8-boronodibenzothiophen-2-yl)boronic acid
CID 2792628
2,8-bis(3-phenylphenyl)dibenzothiophene;2,8-dibromodibenzothiophene;(3-phenylphenyl)boronic acid
CID 160866408
4-bromoaniline;4-dibenzothiophen-2-ylaniline;dibenzothiophen-2-ylboronic acid;methane
CID 159841606
[4-(N-dibenzothiophen-2-yl-3-phenylanilino)phenyl]boronic acid
CID 170776675
20-[3-(8-phenyldibenzothiophen-2-yl)phenyl]-23-thiahexacyclo[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-dodecaene
CID 155006729
2,4-diphenyl-6-[8-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 166952615
2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene
CID 144568506
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
N,4-diphenyl-N-[4-(7-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 118186820
2-dibenzothiophen-2-yl-4-phenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 171597129
2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazine
CID 155049982
2-(7-dibenzothiophen-2-yldibenzothiophen-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377206

Frequently Asked Questions

What is the IUPAC name of (7-phenyldibenzothiophen-2-yl)boronic acid?
The IUPAC name of (7-phenyldibenzothiophen-2-yl)boronic acid (CID 141436106) is (7-phenyldibenzothiophen-2-yl)boronic acid.
What is the SMILES notation for (7-phenyldibenzothiophen-2-yl)boronic acid?
The canonical SMILES for (7-phenyldibenzothiophen-2-yl)boronic acid is OB(O)c1ccc2sc3cc(-c4ccccc4)ccc3c2c1.
What is the InChIKey of (7-phenyldibenzothiophen-2-yl)boronic acid?
The InChIKey is YWABLKNIMHDOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BO2S/c20-19(21)14-7-9-17-16(11-14)15-8-6-13(10-18(15)22-17)12-4-2-1-3-5-12/h1-11,20-21H.
What are the key properties of (7-phenyldibenzothiophen-2-yl)boronic acid?
(7-phenyldibenzothiophen-2-yl)boronic acid has a molecular weight of 304.18 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-phenyldibenzothiophen-2-yl)boronic acid is sourced from PubChem (CID 141436106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).