3-chloro-2-(2-fluorophenyl)-1-methylsulfanyl-6-phenylnaphthalene

C23H16ClFS — CID 176775570

IUPAC3-chloro-2-(2-fluorophenyl)-1-methylsulfanyl-6-phenylnaphthalene
SMILESCSc1c(-c2ccccc2F)c(Cl)cc2cc(-c3ccccc3)ccc12
InChIInChI=1S/C23H16ClFS/c1-26-23-18-12-11-16(15-7-3-2-4-8-15)13-17(18)14-20(24)22(23)19-9-5-6-10-21(19)25/h2-14H,1H3
InChIKeyABHJILFGJHURFQ-UHFFFAOYSA-N
MW378.90 g/mol
LogP7.69
Rot. Bonds3

About 3-chloro-2-(2-fluorophenyl)-1-methylsulfanyl-6-phenylnaphthalene

3-chloro-2-(2-fluorophenyl)-1-methylsulfanyl-6-phenylnaphthalene (PubChem CID 176775570) has the molecular formula C23H16ClFS and a molecular weight of 378.90 g/mol. Its IUPAC name is 3-chloro-2-(2-fluorophenyl)-1-methylsulfanyl-6-phenylnaphthalene.

Molecular Properties

Compound Name3-chloro-2-(2-fluorophenyl)-1-methylsulfanyl-6-phenylnaphthalene
PubChem CID176775570
Molecular FormulaC23H16ClFS
Molecular Weight378.90 g/mol
Exact Mass378.06
IUPAC Name3-chloro-2-(2-fluorophenyl)-1-methylsulfanyl-6-phenylnaphthalene
SMILESCSc1c(-c2ccccc2F)c(Cl)cc2cc(-c3ccccc3)ccc12
InChIInChI=1S/C23H16ClFS/c1-26-23-18-12-11-16(15-7-3-2-4-8-15)13-17(18)14-20(24)22(23)19-9-5-6-10-21(19)25/h2-14H,1H3
InChIKeyABHJILFGJHURFQ-UHFFFAOYSA-N
XLogP7.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.90
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(3-chloro-5-phenylphenyl)phenanthrene
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-fluorophenyl)-1-methylsulfanyl-6-phenylnaphthalene?
The IUPAC name of 3-chloro-2-(2-fluorophenyl)-1-methylsulfanyl-6-phenylnaphthalene (CID 176775570) is 3-chloro-2-(2-fluorophenyl)-1-methylsulfanyl-6-phenylnaphthalene.
What is the SMILES notation for 3-chloro-2-(2-fluorophenyl)-1-methylsulfanyl-6-phenylnaphthalene?
The canonical SMILES for 3-chloro-2-(2-fluorophenyl)-1-methylsulfanyl-6-phenylnaphthalene is CSc1c(-c2ccccc2F)c(Cl)cc2cc(-c3ccccc3)ccc12.
What is the InChIKey of 3-chloro-2-(2-fluorophenyl)-1-methylsulfanyl-6-phenylnaphthalene?
The InChIKey is ABHJILFGJHURFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFS/c1-26-23-18-12-11-16(15-7-3-2-4-8-15)13-17(18)14-20(24)22(23)19-9-5-6-10-21(19)25/h2-14H,1H3.
What are the key properties of 3-chloro-2-(2-fluorophenyl)-1-methylsulfanyl-6-phenylnaphthalene?
3-chloro-2-(2-fluorophenyl)-1-methylsulfanyl-6-phenylnaphthalene has a molecular weight of 378.90 g/mol, XLogP of 7.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-fluorophenyl)-1-methylsulfanyl-6-phenylnaphthalene is sourced from PubChem (CID 176775570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).