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

C22H14OS — CID 15481238

IUPAC3-naphtho[3,2-b][1]benzothiol-11-ylphenol
SMILESOc1cccc(-c2c3ccccc3cc3sc4ccccc4c23)c1
InChIInChI=1S/C22H14OS/c23-16-8-5-7-15(12-16)21-17-9-2-1-6-14(17)13-20-22(21)18-10-3-4-11-19(18)24-20/h1-13,23H
InChIKeyXXYGAVIASCGFJK-UHFFFAOYSA-N
MW326.42 g/mol
LogP6.58
Rot. Bonds1

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

3-naphtho[3,2-b][1]benzothiol-11-ylphenol (PubChem CID 15481238) has the molecular formula C22H14OS and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-naphtho[3,2-b][1]benzothiol-11-ylphenol.

Molecular Properties

Compound Name3-naphtho[3,2-b][1]benzothiol-11-ylphenol
PubChem CID15481238
Molecular FormulaC22H14OS
Molecular Weight326.42 g/mol
Exact Mass326.08
IUPAC Name3-naphtho[3,2-b][1]benzothiol-11-ylphenol
SMILESOc1cccc(-c2c3ccccc3cc3sc4ccccc4c23)c1
InChIInChI=1S/C22H14OS/c23-16-8-5-7-15(12-16)21-17-9-2-1-6-14(17)13-20-22(21)18-10-3-4-11-19(18)24-20/h1-13,23H
InChIKeyXXYGAVIASCGFJK-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

4-naphtho[3,2-b][1]benzothiol-11-ylphenol
CID 10782388
3-anthracen-9-ylphenol
CID 91210590
2-(3-naphtho[3,2-b][1]benzothiol-11-ylphenyl)-4,6-diphenyl-1,3,5-triazinane
CID 163997133
11-(9-bromodibenzothiophen-2-yl)naphtho[2,3-b][1]benzothiole
CID 146663717
2-naphtho[3,2-b][1]benzothiol-11-yl-9H-carbazole
CID 146369031
2-(7-naphtho[3,2-b][1]benzothiol-11-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741070
(4-naphtho[3,2-b][1]benzothiol-11-ylphenyl) methanesulfonate
CID 15481262
3-[3-(4-hydroxyphenyl)-1-benzothiophen-2-yl]phenol
CID 91970624
2-dibenzofuran-1-yl-4-naphtho[3,2-b][1]benzothiol-11-yl-6-phenyl-1,3,5-triazine
CID 162712674
2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene
CID 122426411
2-naphthalen-1-yl-4-(1-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(4-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-(3-naphthalen-1-yl-5-phenylphenyl)-4-(7-naphtho[3,2-b][1]benzothiol-11-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 158800578
1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol
CID 142742371

Frequently Asked Questions

What is the IUPAC name of 3-naphtho[3,2-b][1]benzothiol-11-ylphenol?
The IUPAC name of 3-naphtho[3,2-b][1]benzothiol-11-ylphenol (CID 15481238) is 3-naphtho[3,2-b][1]benzothiol-11-ylphenol.
What is the SMILES notation for 3-naphtho[3,2-b][1]benzothiol-11-ylphenol?
The canonical SMILES for 3-naphtho[3,2-b][1]benzothiol-11-ylphenol is Oc1cccc(-c2c3ccccc3cc3sc4ccccc4c23)c1.
What is the InChIKey of 3-naphtho[3,2-b][1]benzothiol-11-ylphenol?
The InChIKey is XXYGAVIASCGFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14OS/c23-16-8-5-7-15(12-16)21-17-9-2-1-6-14(17)13-20-22(21)18-10-3-4-11-19(18)24-20/h1-13,23H.
What are the key properties of 3-naphtho[3,2-b][1]benzothiol-11-ylphenol?
3-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 3-naphtho[3,2-b][1]benzothiol-11-ylphenol is sourced from PubChem (CID 15481238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).