4-(4-fluorophenyl)-2,3-diphenylquinolin-6-ol

C27H18FNO — CID 19067589

IUPAC4-(4-fluorophenyl)-2,3-diphenylquinolin-6-ol
SMILESOc1ccc2nc(-c3ccccc3)c(-c3ccccc3)c(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C27H18FNO/c28-21-13-11-19(12-14-21)25-23-17-22(30)15-16-24(23)29-27(20-9-5-2-6-10-20)26(25)18-7-3-1-4-8-18/h1-17,30H
InChIKeyLBGHGIHXGASAAS-UHFFFAOYSA-N
MW391.45 g/mol
LogP7.08
Rot. Bonds3

About 4-(4-fluorophenyl)-2,3-diphenylquinolin-6-ol

4-(4-fluorophenyl)-2,3-diphenylquinolin-6-ol (PubChem CID 19067589) has the molecular formula C27H18FNO and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2,3-diphenylquinolin-6-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2,3-diphenylquinolin-6-ol
PubChem CID19067589
Molecular FormulaC27H18FNO
Molecular Weight391.45 g/mol
Exact Mass391.14
IUPAC Name4-(4-fluorophenyl)-2,3-diphenylquinolin-6-ol
SMILESOc1ccc2nc(-c3ccccc3)c(-c3ccccc3)c(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C27H18FNO/c28-21-13-11-19(12-14-21)25-23-17-22(30)15-16-24(23)29-27(20-9-5-2-6-10-20)26(25)18-7-3-1-4-8-18/h1-17,30H
InChIKeyLBGHGIHXGASAAS-UHFFFAOYSA-N
XLogP7.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.45
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2,3-diphenylquinolin-6-ol?
The IUPAC name of 4-(4-fluorophenyl)-2,3-diphenylquinolin-6-ol (CID 19067589) is 4-(4-fluorophenyl)-2,3-diphenylquinolin-6-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-2,3-diphenylquinolin-6-ol?
The canonical SMILES for 4-(4-fluorophenyl)-2,3-diphenylquinolin-6-ol is Oc1ccc2nc(-c3ccccc3)c(-c3ccccc3)c(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 4-(4-fluorophenyl)-2,3-diphenylquinolin-6-ol?
The InChIKey is LBGHGIHXGASAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18FNO/c28-21-13-11-19(12-14-21)25-23-17-22(30)15-16-24(23)29-27(20-9-5-2-6-10-20)26(25)18-7-3-1-4-8-18/h1-17,30H.
What are the key properties of 4-(4-fluorophenyl)-2,3-diphenylquinolin-6-ol?
4-(4-fluorophenyl)-2,3-diphenylquinolin-6-ol has a molecular weight of 391.45 g/mol, XLogP of 7.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2,3-diphenylquinolin-6-ol is sourced from PubChem (CID 19067589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).