5-(4-fluorophenyl)naphtho[1,2-b][1]benzothiole

C22H13FS — CID 132532891

IUPAC5-(4-fluorophenyl)naphtho[1,2-b][1]benzothiole
SMILESFc1ccc(-c2cc3c4ccccc4sc3c3ccccc23)cc1
InChIInChI=1S/C22H13FS/c23-15-11-9-14(10-12-15)19-13-20-17-6-3-4-8-21(17)24-22(20)18-7-2-1-5-16(18)19/h1-13H
InChIKeyRPDMAJVHZDBYRK-UHFFFAOYSA-N
MW328.41 g/mol
LogP7.01
Rot. Bonds1

About 5-(4-fluorophenyl)naphtho[1,2-b][1]benzothiole

5-(4-fluorophenyl)naphtho[1,2-b][1]benzothiole (PubChem CID 132532891) has the molecular formula C22H13FS and a molecular weight of 328.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)naphtho[1,2-b][1]benzothiole.

Molecular Properties

Compound Name5-(4-fluorophenyl)naphtho[1,2-b][1]benzothiole
PubChem CID132532891
Molecular FormulaC22H13FS
Molecular Weight328.41 g/mol
Exact Mass328.07
IUPAC Name5-(4-fluorophenyl)naphtho[1,2-b][1]benzothiole
SMILESFc1ccc(-c2cc3c4ccccc4sc3c3ccccc23)cc1
InChIInChI=1S/C22H13FS/c23-15-11-9-14(10-12-15)19-13-20-17-6-3-4-8-21(17)24-22(20)18-7-2-1-5-16(18)19/h1-13H
InChIKeyRPDMAJVHZDBYRK-UHFFFAOYSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)naphtho[1,2-b][1]benzothiole?
The IUPAC name of 5-(4-fluorophenyl)naphtho[1,2-b][1]benzothiole (CID 132532891) is 5-(4-fluorophenyl)naphtho[1,2-b][1]benzothiole.
What is the SMILES notation for 5-(4-fluorophenyl)naphtho[1,2-b][1]benzothiole?
The canonical SMILES for 5-(4-fluorophenyl)naphtho[1,2-b][1]benzothiole is Fc1ccc(-c2cc3c4ccccc4sc3c3ccccc23)cc1.
What is the InChIKey of 5-(4-fluorophenyl)naphtho[1,2-b][1]benzothiole?
The InChIKey is RPDMAJVHZDBYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13FS/c23-15-11-9-14(10-12-15)19-13-20-17-6-3-4-8-21(17)24-22(20)18-7-2-1-5-16(18)19/h1-13H.
What are the key properties of 5-(4-fluorophenyl)naphtho[1,2-b][1]benzothiole?
5-(4-fluorophenyl)naphtho[1,2-b][1]benzothiole has a molecular weight of 328.41 g/mol, XLogP of 7.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)naphtho[1,2-b][1]benzothiole is sourced from PubChem (CID 132532891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).