3-fluoro-5-[3-fluoro-5-[4-[3-fluoro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]phenyl]phenoxy]pyridine

C28H16F4N2O2 — CID 170362845

IUPAC3-fluoro-5-[3-fluoro-5-[4-[3-fluoro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]phenyl]phenoxy]pyridine
SMILESFc1cncc(Oc2cc(F)cc(-c3ccc(-c4cc(F)cc(Oc5cncc(F)c5)c4)cc3)c2)c1
InChIInChI=1S/C28H16F4N2O2/c29-21-5-19(7-25(9-21)35-27-11-23(31)13-33-15-27)17-1-2-18(4-3-17)20-6-22(30)10-26(8-20)36-28-12-24(32)14-34-16-28/h1-16H
InChIKeyYNOPPPZALUCYCP-UHFFFAOYSA-N
MW488.44 g/mol
LogP7.95
Rot. Bonds6

About 3-fluoro-5-[3-fluoro-5-[4-[3-fluoro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]phenyl]phenoxy]pyridine

3-fluoro-5-[3-fluoro-5-[4-[3-fluoro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]phenyl]phenoxy]pyridine (PubChem CID 170362845) has the molecular formula C28H16F4N2O2 and a molecular weight of 488.44 g/mol. Its IUPAC name is 3-fluoro-5-[3-fluoro-5-[4-[3-fluoro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]phenyl]phenoxy]pyridine.

Molecular Properties

Compound Name3-fluoro-5-[3-fluoro-5-[4-[3-fluoro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]phenyl]phenoxy]pyridine
PubChem CID170362845
Molecular FormulaC28H16F4N2O2
Molecular Weight488.44 g/mol
Exact Mass488.11
IUPAC Name3-fluoro-5-[3-fluoro-5-[4-[3-fluoro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]phenyl]phenoxy]pyridine
SMILESFc1cncc(Oc2cc(F)cc(-c3ccc(-c4cc(F)cc(Oc5cncc(F)c5)c4)cc3)c2)c1
InChIInChI=1S/C28H16F4N2O2/c29-21-5-19(7-25(9-21)35-27-11-23(31)13-33-15-27)17-1-2-18(4-3-17)20-6-22(30)10-26(8-20)36-28-12-24(32)14-34-16-28/h1-16H
InChIKeyYNOPPPZALUCYCP-UHFFFAOYSA-N
XLogP7.95
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.44
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-5-[3-fluoro-5-[4-[3-fluoro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]phenyl]phenoxy]pyridine with MolForge

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Related Compounds

3-[3-fluoro-5-(2-methylphenyl)phenoxy]pyridine
CID 70949069
1-[5-(3,5-difluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 113469602
3-fluoro-5-(trifluoromethoxy)pyridine
CID 91532712
3-(4-tert-butylphenyl)-5-fluoropyridine
CID 176564936
2-chloro-5-[(5-fluoro-3-pyridinyl)oxy]pyrazine
CID 131122602
3-(2-tert-butyl-3,5-difluorophenoxy)-5-fluoropyridine;ethane
CID 176701555
5-(3-fluoro-5-methoxyphenyl)pyridin-3-amine
CID 168655350
1-fluoro-3-methoxy-5-(4-methylsulfanylphenyl)benzene
CID 70699755
1,3-difluoro-5-(4-methoxyphenyl)benzene
CID 11499528
3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 133089266
4-chloro-2-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazole
CID 130621219
(5-fluoro-3-pyridinyl) carbonochloridate
CID 130700465

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[3-fluoro-5-[4-[3-fluoro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]phenyl]phenoxy]pyridine?
The IUPAC name of 3-fluoro-5-[3-fluoro-5-[4-[3-fluoro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]phenyl]phenoxy]pyridine (CID 170362845) is 3-fluoro-5-[3-fluoro-5-[4-[3-fluoro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]phenyl]phenoxy]pyridine.
What is the SMILES notation for 3-fluoro-5-[3-fluoro-5-[4-[3-fluoro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]phenyl]phenoxy]pyridine?
The canonical SMILES for 3-fluoro-5-[3-fluoro-5-[4-[3-fluoro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]phenyl]phenoxy]pyridine is Fc1cncc(Oc2cc(F)cc(-c3ccc(-c4cc(F)cc(Oc5cncc(F)c5)c4)cc3)c2)c1.
What is the InChIKey of 3-fluoro-5-[3-fluoro-5-[4-[3-fluoro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]phenyl]phenoxy]pyridine?
The InChIKey is YNOPPPZALUCYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16F4N2O2/c29-21-5-19(7-25(9-21)35-27-11-23(31)13-33-15-27)17-1-2-18(4-3-17)20-6-22(30)10-26(8-20)36-28-12-24(32)14-34-16-28/h1-16H.
What are the key properties of 3-fluoro-5-[3-fluoro-5-[4-[3-fluoro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]phenyl]phenoxy]pyridine?
3-fluoro-5-[3-fluoro-5-[4-[3-fluoro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]phenyl]phenoxy]pyridine has a molecular weight of 488.44 g/mol, XLogP of 7.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[3-fluoro-5-[4-[3-fluoro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]phenyl]phenoxy]pyridine is sourced from PubChem (CID 170362845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).