4-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,6-dipyridin-4-ylpyridine

C27H14F5N3 — CID 139197313

IUPAC4-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,6-dipyridin-4-ylpyridine
SMILESFc1c(F)c(F)c(-c2ccc(-c3cc(-c4ccncc4)nc(-c4ccncc4)c3)cc2)c(F)c1F
InChIInChI=1S/C27H14F5N3/c28-23-22(24(29)26(31)27(32)25(23)30)18-3-1-15(2-4-18)19-13-20(16-5-9-33-10-6-16)35-21(14-19)17-7-11-34-12-8-17/h1-14H
InChIKeyMAZBLQOKXYWUIO-UHFFFAOYSA-N
MW475.42 g/mol
LogP7.24
Rot. Bonds4

About 4-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,6-dipyridin-4-ylpyridine

4-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,6-dipyridin-4-ylpyridine (PubChem CID 139197313) has the molecular formula C27H14F5N3 and a molecular weight of 475.42 g/mol. Its IUPAC name is 4-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,6-dipyridin-4-ylpyridine.

Molecular Properties

Compound Name4-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,6-dipyridin-4-ylpyridine
PubChem CID139197313
Molecular FormulaC27H14F5N3
Molecular Weight475.42 g/mol
Exact Mass475.11
IUPAC Name4-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,6-dipyridin-4-ylpyridine
SMILESFc1c(F)c(F)c(-c2ccc(-c3cc(-c4ccncc4)nc(-c4ccncc4)c3)cc2)c(F)c1F
InChIInChI=1S/C27H14F5N3/c28-23-22(24(29)26(31)27(32)25(23)30)18-3-1-15(2-4-18)19-13-20(16-5-9-33-10-6-16)35-21(14-19)17-7-11-34-12-8-17/h1-14H
InChIKeyMAZBLQOKXYWUIO-UHFFFAOYSA-N
XLogP7.24
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.42
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3'-Bipyridine
CID 11389
2,4'-Bipyridine
CID 68488
BC-1215
CID 72201045
Anabasamine
CID 161313
Anabasamine hydrochloride
CID 438950
2-(2-(3-Pyridinyl)ethyl)pyridine
CID 248743
4,4'-Diphenyl-2,2'-bipyridine
CID 80259
4-((3'',4''-Difluorobiphenyl-4-yl)methyl)pyridine
CID 46901616
4-(4''-Fluoro-biphenyl-4-ylmethyl)pyridine
CID 49864196
5-[4-Fluoro-3-(3-fluoropyridin-2-yl)phenyl]-3-(2-fluorophenyl)-pyridazine
CID 10384086
5-[3-(3,5-Difluoropyridin-2-yl)-4-fluorophenyl]-3-(2-fluorophenyl)pyridazine
CID 10474944
5-[4-Fluoro-3-(3-fluoropyridin-2-yl)phenyl]-3-(3-fluoropyridin-2-yl)pyridazine
CID 11530663

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,6-dipyridin-4-ylpyridine?
The IUPAC name of 4-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,6-dipyridin-4-ylpyridine (CID 139197313) is 4-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,6-dipyridin-4-ylpyridine.
What is the SMILES notation for 4-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,6-dipyridin-4-ylpyridine?
The canonical SMILES for 4-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,6-dipyridin-4-ylpyridine is Fc1c(F)c(F)c(-c2ccc(-c3cc(-c4ccncc4)nc(-c4ccncc4)c3)cc2)c(F)c1F.
What is the InChIKey of 4-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,6-dipyridin-4-ylpyridine?
The InChIKey is MAZBLQOKXYWUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H14F5N3/c28-23-22(24(29)26(31)27(32)25(23)30)18-3-1-15(2-4-18)19-13-20(16-5-9-33-10-6-16)35-21(14-19)17-7-11-34-12-8-17/h1-14H.
What are the key properties of 4-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,6-dipyridin-4-ylpyridine?
4-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,6-dipyridin-4-ylpyridine has a molecular weight of 475.42 g/mol, XLogP of 7.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,6-dipyridin-4-ylpyridine is sourced from PubChem (CID 139197313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).