[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]boronic acid

C24H16BNO2S — CID 71235174

IUPAC[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]boronic acid
SMILESOB(O)c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc1
InChIInChI=1S/C24H16BNO2S/c27-25(28)15-9-11-16(12-10-15)26-20-7-3-1-6-19(20)23-21(26)14-13-18-17-5-2-4-8-22(17)29-24(18)23/h1-14,27-28H
InChIKeyPKEOLLPMFZHDHY-UHFFFAOYSA-N
MW393.28 g/mol
LogP4.83
Rot. Bonds2

About [4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]boronic acid

[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]boronic acid (PubChem CID 71235174) has the molecular formula C24H16BNO2S and a molecular weight of 393.28 g/mol. Its IUPAC name is [4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]boronic acid
PubChem CID71235174
Molecular FormulaC24H16BNO2S
Molecular Weight393.28 g/mol
Exact Mass393.10
IUPAC Name[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]boronic acid
SMILESOB(O)c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc1
InChIInChI=1S/C24H16BNO2S/c27-25(28)15-9-11-16(12-10-15)26-20-7-3-1-6-19(20)23-21(26)14-13-18-17-5-2-4-8-22(17)29-24(18)23/h1-14,27-28H
InChIKeyPKEOLLPMFZHDHY-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

5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 170393989
5-(4-ethylphenyl)-[1]benzothiolo[3,2-c]carbazole
CID 118689653
6,24-bis(4-carbazol-9-ylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 138736430
5-[4-[4-(3-tert-butylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 167193144
5-(3-methylphenyl)-[1]benzothiolo[3,2-c]carbazole
CID 121339080
2-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 122435836
N,5-diphenyl-N-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 89448189
5-(4-chloroquinolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;(4-phenylphenyl)boronic acid;5-[4-(4-phenylphenyl)quinolin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 161408850
5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole
CID 118503078
5-(1H-indol-3-yl)-[1]benzothiolo[3,2-c]carbazole
CID 121429648
5-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[3,2-c]carbazole
CID 138467912
6,24-bis(9-phenylcarbazol-2-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 138736429

Frequently Asked Questions

What is the IUPAC name of [4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]boronic acid?
The IUPAC name of [4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]boronic acid (CID 71235174) is [4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]boronic acid.
What is the SMILES notation for [4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]boronic acid?
The canonical SMILES for [4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]boronic acid is OB(O)c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc1.
What is the InChIKey of [4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]boronic acid?
The InChIKey is PKEOLLPMFZHDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BNO2S/c27-25(28)15-9-11-16(12-10-15)26-20-7-3-1-6-19(20)23-21(26)14-13-18-17-5-2-4-8-22(17)29-24(18)23/h1-14,27-28H.
What are the key properties of [4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]boronic acid?
[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]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 [4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]boronic acid is sourced from PubChem (CID 71235174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).