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

C27H18FN — CID 139213834

IUPAC2-(4-fluorophenyl)-3,4-diphenylquinoline
SMILESFc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C27H18FN/c28-22-17-15-21(16-18-22)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
InChIKeyVIIQFZPTSDKFQU-UHFFFAOYSA-N
MW375.45 g/mol
LogP7.37
Rot. Bonds3

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

2-(4-fluorophenyl)-3,4-diphenylquinoline (PubChem CID 139213834) has the molecular formula C27H18FN and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3,4-diphenylquinoline.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3,4-diphenylquinoline
PubChem CID139213834
Molecular FormulaC27H18FN
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC Name2-(4-fluorophenyl)-3,4-diphenylquinoline
SMILESFc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C27H18FN/c28-22-17-15-21(16-18-22)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
InChIKeyVIIQFZPTSDKFQU-UHFFFAOYSA-N
XLogP7.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.45
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3,4-diphenylquinoline?
The IUPAC name of 2-(4-fluorophenyl)-3,4-diphenylquinoline (CID 139213834) is 2-(4-fluorophenyl)-3,4-diphenylquinoline.
What is the SMILES notation for 2-(4-fluorophenyl)-3,4-diphenylquinoline?
The canonical SMILES for 2-(4-fluorophenyl)-3,4-diphenylquinoline is Fc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3,4-diphenylquinoline?
The InChIKey is VIIQFZPTSDKFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18FN/c28-22-17-15-21(16-18-22)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)-3,4-diphenylquinoline?
2-(4-fluorophenyl)-3,4-diphenylquinoline has a molecular weight of 375.45 g/mol, XLogP of 7.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3,4-diphenylquinoline is sourced from PubChem (CID 139213834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).