3-(4-fluorophenyl)sulfanyl-1,10-phenanthroline

C18H11FN2S — CID 166805531

IUPAC3-(4-fluorophenyl)sulfanyl-1,10-phenanthroline
SMILESFc1ccc(Sc2cnc3c(ccc4cccnc43)c2)cc1
InChIInChI=1S/C18H11FN2S/c19-14-5-7-15(8-6-14)22-16-10-13-4-3-12-2-1-9-20-17(12)18(13)21-11-16/h1-11H
InChIKeyZHLDNXMSBXANOI-UHFFFAOYSA-N
MW306.37 g/mol
LogP5.07
Rot. Bonds2

About 3-(4-fluorophenyl)sulfanyl-1,10-phenanthroline

3-(4-fluorophenyl)sulfanyl-1,10-phenanthroline (PubChem CID 166805531) has the molecular formula C18H11FN2S and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-1,10-phenanthroline.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-1,10-phenanthroline
PubChem CID166805531
Molecular FormulaC18H11FN2S
Molecular Weight306.37 g/mol
Exact Mass306.06
IUPAC Name3-(4-fluorophenyl)sulfanyl-1,10-phenanthroline
SMILESFc1ccc(Sc2cnc3c(ccc4cccnc43)c2)cc1
InChIInChI=1S/C18H11FN2S/c19-14-5-7-15(8-6-14)22-16-10-13-4-3-12-2-1-9-20-17(12)18(13)21-11-16/h1-11H
InChIKeyZHLDNXMSBXANOI-UHFFFAOYSA-N
XLogP5.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.37
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-1,10-phenanthroline?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-1,10-phenanthroline (CID 166805531) is 3-(4-fluorophenyl)sulfanyl-1,10-phenanthroline.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-1,10-phenanthroline?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-1,10-phenanthroline is Fc1ccc(Sc2cnc3c(ccc4cccnc43)c2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-1,10-phenanthroline?
The InChIKey is ZHLDNXMSBXANOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2S/c19-14-5-7-15(8-6-14)22-16-10-13-4-3-12-2-1-9-20-17(12)18(13)21-11-16/h1-11H.
What are the key properties of 3-(4-fluorophenyl)sulfanyl-1,10-phenanthroline?
3-(4-fluorophenyl)sulfanyl-1,10-phenanthroline has a molecular weight of 306.37 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-1,10-phenanthroline is sourced from PubChem (CID 166805531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).