2-[9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]xanthen-9-yl]pyridine

C35H22F2N2O2 — CID 157180921

IUPAC2-[9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]xanthen-9-yl]pyridine
SMILESFc1cc(F)c(-c2ccccn2)cc1Oc1cccc(C2(c3ccccn3)c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C35H22F2N2O2/c36-28-22-29(37)33(21-25(28)30-14-5-7-18-38-30)40-24-11-9-10-23(20-24)35(34-17-6-8-19-39-34)26-12-1-3-15-31(26)41-32-16-4-2-13-27(32)35/h1-22H
InChIKeyBOHKQUYICRXOKY-UHFFFAOYSA-N
MW540.57 g/mol
LogP8.70
Rot. Bonds5

About 2-[9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]xanthen-9-yl]pyridine

2-[9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]xanthen-9-yl]pyridine (PubChem CID 157180921) has the molecular formula C35H22F2N2O2 and a molecular weight of 540.57 g/mol. Its IUPAC name is 2-[9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]xanthen-9-yl]pyridine.

Molecular Properties

Compound Name2-[9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]xanthen-9-yl]pyridine
PubChem CID157180921
Molecular FormulaC35H22F2N2O2
Molecular Weight540.57 g/mol
Exact Mass540.16
IUPAC Name2-[9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]xanthen-9-yl]pyridine
SMILESFc1cc(F)c(-c2ccccn2)cc1Oc1cccc(C2(c3ccccn3)c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C35H22F2N2O2/c36-28-22-29(37)33(21-25(28)30-14-5-7-18-38-30)40-24-11-9-10-23(20-24)35(34-17-6-8-19-39-34)26-12-1-3-15-31(26)41-32-16-4-2-13-27(32)35/h1-22H
InChIKeyBOHKQUYICRXOKY-UHFFFAOYSA-N
XLogP8.70
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.57
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]xanthen-9-yl]pyridine with MolForge

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Related Compounds

1'-[4-[1-(4-Fluorophenyl)indol-3-yl]butyl]spiro[2,3-dihydrochromene-4,4'-piperidine]
CID 10027638
(4S)-4'-fluoro-7'-(2-fluoro-3-pyridinyl)-2'-pyridin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 53464819
3-(2,2-Dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine
CID 66829310
3-(2,2-Dipyridin-3-ylethyl)-2-[3-(trifluoromethoxy)phenyl]pyridine
CID 66829595
1'-[4-[1-(4-Fluorophenyl)indol-3-yl]butyl]spiro[2,4-dihydrochromene-3,4'-piperidine]
CID 10096191
9-fluoro-2,4-bis(4-fluorophenyl)-5H-chromeno[4,3-b]pyridine
CID 17757045
8-(3-Methoxyphenyl)-6-((4-(trifluoromethyl)phenoxy)methyl)quinoline
CID 49866271
2,4-dipyridin-2-yl-5H-chromeno[4,3-b]pyridine
CID 53377306
2-[[4-[5-Fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline
CID 122196339
(NE)-N-[2-isoquinolin-3-yl-7-(2-phenylethyl)chromen-4-ylidene]hydroxylamine
CID 136503361
(NE)-N-[2-(2,6-naphthyridin-3-yl)chromen-4-ylidene]hydroxylamine
CID 136503371
Isoquinolinium, 1-((4-(5-((6,7-dimethoxy-2-methylisoquinolinium-1-yl)methyl)-2-methoxyphenoxy)phenyl)methyl)-6,7-dimethoxy-2-methyl-
CID 73053

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]xanthen-9-yl]pyridine?
The IUPAC name of 2-[9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]xanthen-9-yl]pyridine (CID 157180921) is 2-[9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]xanthen-9-yl]pyridine.
What is the SMILES notation for 2-[9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]xanthen-9-yl]pyridine?
The canonical SMILES for 2-[9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]xanthen-9-yl]pyridine is Fc1cc(F)c(-c2ccccn2)cc1Oc1cccc(C2(c3ccccn3)c3ccccc3Oc3ccccc32)c1.
What is the InChIKey of 2-[9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]xanthen-9-yl]pyridine?
The InChIKey is BOHKQUYICRXOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22F2N2O2/c36-28-22-29(37)33(21-25(28)30-14-5-7-18-38-30)40-24-11-9-10-23(20-24)35(34-17-6-8-19-39-34)26-12-1-3-15-31(26)41-32-16-4-2-13-27(32)35/h1-22H.
What are the key properties of 2-[9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]xanthen-9-yl]pyridine?
2-[9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]xanthen-9-yl]pyridine has a molecular weight of 540.57 g/mol, XLogP of 8.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]xanthen-9-yl]pyridine is sourced from PubChem (CID 157180921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).