2-(4-fluorophenyl)sulfanyl-3,4-diphenylquinoline

C27H18FNS — CID 164679439

IUPAC2-(4-fluorophenyl)sulfanyl-3,4-diphenylquinoline
SMILESFc1ccc(Sc2nc3ccccc3c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C27H18FNS/c28-21-15-17-22(18-16-21)30-27-26(20-11-5-2-6-12-20)25(19-9-3-1-4-10-19)23-13-7-8-14-24(23)29-27/h1-18H
InChIKeyPOMRGZBHHPJFSX-UHFFFAOYSA-N
MW407.51 g/mol
LogP7.86
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-3,4-diphenylquinoline

2-(4-fluorophenyl)sulfanyl-3,4-diphenylquinoline (PubChem CID 164679439) has the molecular formula C27H18FNS and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-3,4-diphenylquinoline.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-3,4-diphenylquinoline
PubChem CID164679439
Molecular FormulaC27H18FNS
Molecular Weight407.51 g/mol
Exact Mass407.11
IUPAC Name2-(4-fluorophenyl)sulfanyl-3,4-diphenylquinoline
SMILESFc1ccc(Sc2nc3ccccc3c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C27H18FNS/c28-21-15-17-22(18-16-21)30-27-26(20-11-5-2-6-12-20)25(19-9-3-1-4-10-19)23-13-7-8-14-24(23)29-27/h1-18H
InChIKeyPOMRGZBHHPJFSX-UHFFFAOYSA-N
XLogP7.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-3,4-diphenylquinoline?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-3,4-diphenylquinoline (CID 164679439) is 2-(4-fluorophenyl)sulfanyl-3,4-diphenylquinoline.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-3,4-diphenylquinoline?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-3,4-diphenylquinoline is Fc1ccc(Sc2nc3ccccc3c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-3,4-diphenylquinoline?
The InChIKey is POMRGZBHHPJFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18FNS/c28-21-15-17-22(18-16-21)30-27-26(20-11-5-2-6-12-20)25(19-9-3-1-4-10-19)23-13-7-8-14-24(23)29-27/h1-18H.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-3,4-diphenylquinoline?
2-(4-fluorophenyl)sulfanyl-3,4-diphenylquinoline has a molecular weight of 407.51 g/mol, XLogP of 7.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-3,4-diphenylquinoline is sourced from PubChem (CID 164679439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).