1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol

C24H14O2S2 — CID 142742371

IUPAC1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol
SMILESOc1ccc2sc3ccccc3c2c1-c1c(O)ccc2sc3ccccc3c12
InChIInChI=1S/C24H14O2S2/c25-15-9-11-19-21(13-5-1-3-7-17(13)27-19)23(15)24-16(26)10-12-20-22(24)14-6-2-4-8-18(14)28-20/h1-12,25-26H
InChIKeyJMQPPOJZVVNCIR-UHFFFAOYSA-N
MW398.51 g/mol
LogP7.50
Rot. Bonds1

About 1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol

1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol (PubChem CID 142742371) has the molecular formula C24H14O2S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol.

Molecular Properties

Compound Name1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol
PubChem CID142742371
Molecular FormulaC24H14O2S2
Molecular Weight398.51 g/mol
Exact Mass398.04
IUPAC Name1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol
SMILESOc1ccc2sc3ccccc3c2c1-c1c(O)ccc2sc3ccccc3c12
InChIInChI=1S/C24H14O2S2/c25-15-9-11-19-21(13-5-1-3-7-17(13)27-19)23(15)24-16(26)10-12-20-22(24)14-6-2-4-8-18(14)28-20/h1-12,25-26H
InChIKeyJMQPPOJZVVNCIR-UHFFFAOYSA-N
XLogP7.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 57.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-methyldibenzothiophene
CID 23839
azane;1,2-bis(1-benzothiophen-3-yl)dibenzothiophene
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1-phenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene
CID 174292374
dibenzothiophene;methane
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10-thiaheptacyclo[15.12.0.02,14.03,11.04,9.018,23.024,29]nonacosa-1(17),2(14),3(11),4,6,8,12,15,18,20,22,24,26,28-tetradecaene
CID 13409695
2-(2-bromodibenzothiophen-1-yl)pyridine
CID 162354836
4-naphtho[3,2-b][1]benzothiol-11-ylphenol
CID 10782388
[1]benzothiolo[2,3-b][1]benzothiole
CID 683562
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CID 134272865
CID 134272865

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol?
The IUPAC name of 1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol (CID 142742371) is 1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol.
What is the SMILES notation for 1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol?
The canonical SMILES for 1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol is Oc1ccc2sc3ccccc3c2c1-c1c(O)ccc2sc3ccccc3c12.
What is the InChIKey of 1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol?
The InChIKey is JMQPPOJZVVNCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14O2S2/c25-15-9-11-19-21(13-5-1-3-7-17(13)27-19)23(15)24-16(26)10-12-20-22(24)14-6-2-4-8-18(14)28-20/h1-12,25-26H.
What are the key properties of 1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol?
1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol has a molecular weight of 398.51 g/mol, XLogP of 7.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol is sourced from PubChem (CID 142742371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).