(8-carbazol-9-yldibenzothiophen-2-yl)boronic acid

C24H16BNO2S — CID 86730009

IUPAC(8-carbazol-9-yldibenzothiophen-2-yl)boronic acid
SMILESOB(O)c1ccc2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C24H16BNO2S/c27-25(28)15-9-11-23-19(13-15)20-14-16(10-12-24(20)29-23)26-21-7-3-1-5-17(21)18-6-2-4-8-22(18)26/h1-14,27-28H
InChIKeyQYRGAHOCNHZEIU-UHFFFAOYSA-N
MW393.28 g/mol
LogP4.83
Rot. Bonds2

About (8-carbazol-9-yldibenzothiophen-2-yl)boronic acid

(8-carbazol-9-yldibenzothiophen-2-yl)boronic acid (PubChem CID 86730009) has the molecular formula C24H16BNO2S and a molecular weight of 393.28 g/mol. Its IUPAC name is (8-carbazol-9-yldibenzothiophen-2-yl)boronic acid.

Molecular Properties

Compound Name(8-carbazol-9-yldibenzothiophen-2-yl)boronic acid
PubChem CID86730009
Molecular FormulaC24H16BNO2S
Molecular Weight393.28 g/mol
Exact Mass393.10
IUPAC Name(8-carbazol-9-yldibenzothiophen-2-yl)boronic acid
SMILESOB(O)c1ccc2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C24H16BNO2S/c27-25(28)15-9-11-23-19(13-15)20-14-16(10-12-24(20)29-23)26-21-7-3-1-5-17(21)18-6-2-4-8-22(18)26/h1-14,27-28H
InChIKeyQYRGAHOCNHZEIU-UHFFFAOYSA-N
XLogP4.83
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
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

9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
(8-carbazol-9-yldibenzofuran-2-yl)boronic acid
CID 89433899
(18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)boronic acid
CID 59147189
(8-boronodibenzothiophen-2-yl)boronic acid
CID 2792628
[6-carbazol-9-yl-9-(4-methoxyphenyl)carbazol-3-yl]boronic acid
CID 140873138
CID 144619443
CID 144619443
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398
9-(27-carbazol-9-yl-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl)carbazole
CID 90347227
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
3-carbazol-9-yl-9-[9-(8-carbazol-9-yldibenzothiophen-1-yl)carbazol-3-yl]carbazole
CID 176831748
9-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole
CID 132568147
(2-carbazol-9-yldibenzothiophen-4-yl)boronic acid
CID 140799194

Frequently Asked Questions

What is the IUPAC name of (8-carbazol-9-yldibenzothiophen-2-yl)boronic acid?
The IUPAC name of (8-carbazol-9-yldibenzothiophen-2-yl)boronic acid (CID 86730009) is (8-carbazol-9-yldibenzothiophen-2-yl)boronic acid.
What is the SMILES notation for (8-carbazol-9-yldibenzothiophen-2-yl)boronic acid?
The canonical SMILES for (8-carbazol-9-yldibenzothiophen-2-yl)boronic acid is OB(O)c1ccc2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.
What is the InChIKey of (8-carbazol-9-yldibenzothiophen-2-yl)boronic acid?
The InChIKey is QYRGAHOCNHZEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BNO2S/c27-25(28)15-9-11-23-19(13-15)20-14-16(10-12-24(20)29-23)26-21-7-3-1-5-17(21)18-6-2-4-8-22(18)26/h1-14,27-28H.
What are the key properties of (8-carbazol-9-yldibenzothiophen-2-yl)boronic acid?
(8-carbazol-9-yldibenzothiophen-2-yl)boronic acid has a molecular weight of 393.28 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-carbazol-9-yldibenzothiophen-2-yl)boronic acid is sourced from PubChem (CID 86730009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).