2-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine

C40H20F8N2 — CID 59609340

IUPAC2-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine
SMILESFc1c(F)c(-c2ccccn2)c(F)c(-c2cc(-c3ccccc3)c(-c3c(F)c(F)c(F)c(-c4ccccn4)c3F)cc2-c2ccccc2)c1F
InChIInChI=1S/C40H20F8N2/c41-33-29(35(43)39(47)37(45)31(33)27-15-7-9-17-49-27)25-20-24(22-13-5-2-6-14-22)26(19-23(25)21-11-3-1-4-12-21)30-34(42)32(28-16-8-10-18-50-28)38(46)40(48)36(30)44/h1-20H
InChIKeyAECFFXOIOVAHNU-UHFFFAOYSA-N
MW680.60 g/mol
LogP11.59
Rot. Bonds6

About 2-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine

2-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine (PubChem CID 59609340) has the molecular formula C40H20F8N2 and a molecular weight of 680.60 g/mol. Its IUPAC name is 2-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine.

Molecular Properties

Compound Name2-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine
PubChem CID59609340
Molecular FormulaC40H20F8N2
Molecular Weight680.60 g/mol
Exact Mass680.15
IUPAC Name2-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine
SMILESFc1c(F)c(-c2ccccn2)c(F)c(-c2cc(-c3ccccc3)c(-c3c(F)c(F)c(F)c(-c4ccccn4)c3F)cc2-c2ccccc2)c1F
InChIInChI=1S/C40H20F8N2/c41-33-29(35(43)39(47)37(45)31(33)27-15-7-9-17-49-27)25-20-24(22-13-5-2-6-14-22)26(19-23(25)21-11-3-1-4-12-21)30-34(42)32(28-16-8-10-18-50-28)38(46)40(48)36(30)44/h1-20H
InChIKeyAECFFXOIOVAHNU-UHFFFAOYSA-N
XLogP11.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.60
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine?
The IUPAC name of 2-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine (CID 59609340) is 2-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine.
What is the SMILES notation for 2-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine?
The canonical SMILES for 2-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine is Fc1c(F)c(-c2ccccn2)c(F)c(-c2cc(-c3ccccc3)c(-c3c(F)c(F)c(F)c(-c4ccccn4)c3F)cc2-c2ccccc2)c1F.
What is the InChIKey of 2-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine?
The InChIKey is AECFFXOIOVAHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H20F8N2/c41-33-29(35(43)39(47)37(45)31(33)27-15-7-9-17-49-27)25-20-24(22-13-5-2-6-14-22)26(19-23(25)21-11-3-1-4-12-21)30-34(42)32(28-16-8-10-18-50-28)38(46)40(48)36(30)44/h1-20H.
What are the key properties of 2-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine?
2-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine has a molecular weight of 680.60 g/mol, XLogP of 11.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine is sourced from PubChem (CID 59609340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).