4-naphtho[3,2-b][1]benzothiol-11-ylphenol

C22H14OS — CID 10782388

IUPAC4-naphtho[3,2-b][1]benzothiol-11-ylphenol
SMILESOc1ccc(-c2c3ccccc3cc3sc4ccccc4c23)cc1
InChIInChI=1S/C22H14OS/c23-16-11-9-14(10-12-16)21-17-6-2-1-5-15(17)13-20-22(21)18-7-3-4-8-19(18)24-20/h1-13,23H
InChIKeyFOVDIDGSPRVLSE-UHFFFAOYSA-N
MW326.42 g/mol
LogP6.58
Rot. Bonds1

About 4-naphtho[3,2-b][1]benzothiol-11-ylphenol

4-naphtho[3,2-b][1]benzothiol-11-ylphenol (PubChem CID 10782388) has the molecular formula C22H14OS and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-naphtho[3,2-b][1]benzothiol-11-ylphenol.

Molecular Properties

Compound Name4-naphtho[3,2-b][1]benzothiol-11-ylphenol
PubChem CID10782388
Molecular FormulaC22H14OS
Molecular Weight326.42 g/mol
Exact Mass326.08
IUPAC Name4-naphtho[3,2-b][1]benzothiol-11-ylphenol
SMILESOc1ccc(-c2c3ccccc3cc3sc4ccccc4c23)cc1
InChIInChI=1S/C22H14OS/c23-16-11-9-14(10-12-16)21-17-6-2-1-5-15(17)13-20-22(21)18-7-3-4-8-19(18)24-20/h1-13,23H
InChIKeyFOVDIDGSPRVLSE-UHFFFAOYSA-N
XLogP6.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-naphtho[3,2-b][1]benzothiol-11-ylphenol
CID 15481238
2-naphtho[3,2-b][1]benzothiol-11-yl-9H-carbazole
CID 146369031
(4-naphtho[3,2-b][1]benzothiol-11-ylphenyl) methanesulfonate
CID 15481262
11-(9-bromodibenzothiophen-2-yl)naphtho[2,3-b][1]benzothiole
CID 146663717
2-(3-naphtho[3,2-b][1]benzothiol-11-ylphenyl)-4,6-diphenyl-1,3,5-triazinane
CID 163997133
2-[4-[3-(carboxymethoxy)naphtho[3,2-b][1]benzothiol-11-yl]phenoxy]acetic acid
CID 18687828
3-[3-(4-hydroxyphenyl)-1-benzothiophen-2-yl]phenol
CID 91970624
2-(7-naphtho[3,2-b][1]benzothiol-11-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741070
1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol
CID 142742371
3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzothiole
CID 122415548
4-[2,3,4-tris(4-hydroxyphenyl)anthracen-1-yl]phenol
CID 54527880
5-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzothiole
CID 122426465

Frequently Asked Questions

What is the IUPAC name of 4-naphtho[3,2-b][1]benzothiol-11-ylphenol?
The IUPAC name of 4-naphtho[3,2-b][1]benzothiol-11-ylphenol (CID 10782388) is 4-naphtho[3,2-b][1]benzothiol-11-ylphenol.
What is the SMILES notation for 4-naphtho[3,2-b][1]benzothiol-11-ylphenol?
The canonical SMILES for 4-naphtho[3,2-b][1]benzothiol-11-ylphenol is Oc1ccc(-c2c3ccccc3cc3sc4ccccc4c23)cc1.
What is the InChIKey of 4-naphtho[3,2-b][1]benzothiol-11-ylphenol?
The InChIKey is FOVDIDGSPRVLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14OS/c23-16-11-9-14(10-12-16)21-17-6-2-1-5-15(17)13-20-22(21)18-7-3-4-8-19(18)24-20/h1-13,23H.
What are the key properties of 4-naphtho[3,2-b][1]benzothiol-11-ylphenol?
4-naphtho[3,2-b][1]benzothiol-11-ylphenol has a molecular weight of 326.42 g/mol, XLogP of 6.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphtho[3,2-b][1]benzothiol-11-ylphenol is sourced from PubChem (CID 10782388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).