2-(4-fluorophenyl)-6-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]oxy-4-phenylquinoline

C42H26F2N2O — CID 10941095

IUPAC2-(4-fluorophenyl)-6-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]oxy-4-phenylquinoline
SMILESFc1ccc(-c2cc(-c3ccccc3)c3cc(Oc4ccc5nc(-c6ccc(F)cc6)cc(-c6ccccc6)c5c4)ccc3n2)cc1
InChIInChI=1S/C42H26F2N2O/c43-31-15-11-29(12-16-31)41-25-35(27-7-3-1-4-8-27)37-23-33(19-21-39(37)45-41)47-34-20-22-40-38(24-34)36(28-9-5-2-6-10-28)26-42(46-40)30-13-17-32(44)18-14-30/h1-26H
InChIKeySTKMQWUGUXKRFA-UHFFFAOYSA-N
MW612.68 g/mol
LogP11.52
Rot. Bonds6

About 2-(4-fluorophenyl)-6-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]oxy-4-phenylquinoline

2-(4-fluorophenyl)-6-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]oxy-4-phenylquinoline (PubChem CID 10941095) has the molecular formula C42H26F2N2O and a molecular weight of 612.68 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]oxy-4-phenylquinoline.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]oxy-4-phenylquinoline
PubChem CID10941095
Molecular FormulaC42H26F2N2O
Molecular Weight612.68 g/mol
Exact Mass612.20
IUPAC Name2-(4-fluorophenyl)-6-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]oxy-4-phenylquinoline
SMILESFc1ccc(-c2cc(-c3ccccc3)c3cc(Oc4ccc5nc(-c6ccc(F)cc6)cc(-c6ccccc6)c5c4)ccc3n2)cc1
InChIInChI=1S/C42H26F2N2O/c43-31-15-11-29(12-16-31)41-25-35(27-7-3-1-4-8-27)37-23-33(19-21-39(37)45-41)47-34-20-22-40-38(24-34)36(28-9-5-2-6-10-28)26-42(46-40)30-13-17-32(44)18-14-30/h1-26H
InChIKeySTKMQWUGUXKRFA-UHFFFAOYSA-N
XLogP11.52
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.68
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]oxy-4-phenylquinoline?
The IUPAC name of 2-(4-fluorophenyl)-6-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]oxy-4-phenylquinoline (CID 10941095) is 2-(4-fluorophenyl)-6-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]oxy-4-phenylquinoline.
What is the SMILES notation for 2-(4-fluorophenyl)-6-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]oxy-4-phenylquinoline?
The canonical SMILES for 2-(4-fluorophenyl)-6-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]oxy-4-phenylquinoline is Fc1ccc(-c2cc(-c3ccccc3)c3cc(Oc4ccc5nc(-c6ccc(F)cc6)cc(-c6ccccc6)c5c4)ccc3n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-6-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]oxy-4-phenylquinoline?
The InChIKey is STKMQWUGUXKRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26F2N2O/c43-31-15-11-29(12-16-31)41-25-35(27-7-3-1-4-8-27)37-23-33(19-21-39(37)45-41)47-34-20-22-40-38(24-34)36(28-9-5-2-6-10-28)26-42(46-40)30-13-17-32(44)18-14-30/h1-26H.
What are the key properties of 2-(4-fluorophenyl)-6-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]oxy-4-phenylquinoline?
2-(4-fluorophenyl)-6-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]oxy-4-phenylquinoline has a molecular weight of 612.68 g/mol, XLogP of 11.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]oxy-4-phenylquinoline is sourced from PubChem (CID 10941095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).