2-(3,5-difluorophenyl)-3-fluoro-4-phenyl-[1]benzofuro[3,2-b]pyridine

C23H12F3NO — CID 162719928

IUPAC2-(3,5-difluorophenyl)-3-fluoro-4-phenyl-[1]benzofuro[3,2-b]pyridine
SMILESFc1cc(F)cc(-c2nc3c(oc4ccccc43)c(-c3ccccc3)c2F)c1
InChIInChI=1S/C23H12F3NO/c24-15-10-14(11-16(25)12-15)21-20(26)19(13-6-2-1-3-7-13)23-22(27-21)17-8-4-5-9-18(17)28-23/h1-12H
InChIKeyXYZQHLPRELXUPU-UHFFFAOYSA-N
MW375.35 g/mol
LogP6.73
Rot. Bonds2

About 2-(3,5-difluorophenyl)-3-fluoro-4-phenyl-[1]benzofuro[3,2-b]pyridine

2-(3,5-difluorophenyl)-3-fluoro-4-phenyl-[1]benzofuro[3,2-b]pyridine (PubChem CID 162719928) has the molecular formula C23H12F3NO and a molecular weight of 375.35 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-3-fluoro-4-phenyl-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-3-fluoro-4-phenyl-[1]benzofuro[3,2-b]pyridine
PubChem CID162719928
Molecular FormulaC23H12F3NO
Molecular Weight375.35 g/mol
Exact Mass375.09
IUPAC Name2-(3,5-difluorophenyl)-3-fluoro-4-phenyl-[1]benzofuro[3,2-b]pyridine
SMILESFc1cc(F)cc(-c2nc3c(oc4ccccc43)c(-c3ccccc3)c2F)c1
InChIInChI=1S/C23H12F3NO/c24-15-10-14(11-16(25)12-15)21-20(26)19(13-6-2-1-3-7-13)23-22(27-21)17-8-4-5-9-18(17)28-23/h1-12H
InChIKeyXYZQHLPRELXUPU-UHFFFAOYSA-N
XLogP6.73
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.35
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenoxy)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 22586552
4-phenyl-2-[4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489670
2-phenyl-4-[4-[4-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489508
2-phenyl-4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489550
12-(3-phenanthren-9-ylphenyl)-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
CID 163499013
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 122628602
4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489637
2-(3-phenylphenyl)-4-[4-[2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489686
4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 118229247
11-(4-methoxyphenyl)-[1]benzofuro[3,2-b]quinoline
CID 11809524
2-(4-phenylphenyl)-4-[3-[3-[3-[3-[2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489746
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 118229286

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-3-fluoro-4-phenyl-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 2-(3,5-difluorophenyl)-3-fluoro-4-phenyl-[1]benzofuro[3,2-b]pyridine (CID 162719928) is 2-(3,5-difluorophenyl)-3-fluoro-4-phenyl-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-3-fluoro-4-phenyl-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 2-(3,5-difluorophenyl)-3-fluoro-4-phenyl-[1]benzofuro[3,2-b]pyridine is Fc1cc(F)cc(-c2nc3c(oc4ccccc43)c(-c3ccccc3)c2F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-3-fluoro-4-phenyl-[1]benzofuro[3,2-b]pyridine?
The InChIKey is XYZQHLPRELXUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12F3NO/c24-15-10-14(11-16(25)12-15)21-20(26)19(13-6-2-1-3-7-13)23-22(27-21)17-8-4-5-9-18(17)28-23/h1-12H.
What are the key properties of 2-(3,5-difluorophenyl)-3-fluoro-4-phenyl-[1]benzofuro[3,2-b]pyridine?
2-(3,5-difluorophenyl)-3-fluoro-4-phenyl-[1]benzofuro[3,2-b]pyridine has a molecular weight of 375.35 g/mol, XLogP of 6.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-3-fluoro-4-phenyl-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 162719928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).