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

C40H21F7N2 — CID 143825285

IUPAC3-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5-trifluorophenyl]pyridine
SMILESFc1cc(-c2cccnc2)c(F)c(-c2cc(-c3ccccc3)c(-c3c(F)c(F)c(F)c(-c4cccnc4)c3F)cc2-c2ccccc2)c1F
InChIInChI=1S/C40H21F7N2/c41-31-19-28(24-13-7-15-48-20-24)35(42)33(36(31)43)29-17-27(23-11-5-2-6-12-23)30(18-26(29)22-9-3-1-4-10-22)34-37(44)32(25-14-8-16-49-21-25)38(45)40(47)39(34)46/h1-21H
InChIKeyNDEZHKJWEKXQBN-UHFFFAOYSA-N
MW662.61 g/mol
LogP11.45
Rot. Bonds6

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

3-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5-trifluorophenyl]pyridine (PubChem CID 143825285) has the molecular formula C40H21F7N2 and a molecular weight of 662.61 g/mol. Its IUPAC name is 3-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5-trifluorophenyl]pyridine.

Molecular Properties

Compound Name3-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5-trifluorophenyl]pyridine
PubChem CID143825285
Molecular FormulaC40H21F7N2
Molecular Weight662.61 g/mol
Exact Mass662.16
IUPAC Name3-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5-trifluorophenyl]pyridine
SMILESFc1cc(-c2cccnc2)c(F)c(-c2cc(-c3ccccc3)c(-c3c(F)c(F)c(F)c(-c4cccnc4)c3F)cc2-c2ccccc2)c1F
InChIInChI=1S/C40H21F7N2/c41-31-19-28(24-13-7-15-48-20-24)35(42)33(36(31)43)29-17-27(23-11-5-2-6-12-23)30(18-26(29)22-9-3-1-4-10-22)34-37(44)32(25-14-8-16-49-21-25)38(45)40(47)39(34)46/h1-21H
InChIKeyNDEZHKJWEKXQBN-UHFFFAOYSA-N
XLogP11.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.61
LogP ≤ 511.45
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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Related Compounds

3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 67990643
3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine
CID 46316767
CID 163747948
CID 163747948
3-(4-chloro-2,3,5,6-tetrafluorophenyl)pyridine
CID 46317217
(4,5-difluoro-2-pyridin-3-ylphenyl)methanol
CID 141349558
3-[5-[2,5-diphenyl-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine
CID 89005557
3-(2-fluoro-4-iodo-5-pyridin-3-ylphenyl)pyridine
CID 46316515
3-(2-methyl-3-phenylphenyl)pyridine
CID 91046767
3-(2,5-difluoro-4-methylphenyl)pyridine
CID 143759776
3-(2-fluoro-3-pyridin-4-ylphenyl)pyridine
CID 46316510
3-fluoro-4-pyridin-3-ylphenol
CID 46315770
3-(3-bromo-2-fluorophenyl)pyridine
CID 67900310

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5-trifluorophenyl]pyridine?
The IUPAC name of 3-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5-trifluorophenyl]pyridine (CID 143825285) is 3-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5-trifluorophenyl]pyridine.
What is the SMILES notation for 3-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5-trifluorophenyl]pyridine?
The canonical SMILES for 3-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5-trifluorophenyl]pyridine is Fc1cc(-c2cccnc2)c(F)c(-c2cc(-c3ccccc3)c(-c3c(F)c(F)c(F)c(-c4cccnc4)c3F)cc2-c2ccccc2)c1F.
What is the InChIKey of 3-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5-trifluorophenyl]pyridine?
The InChIKey is NDEZHKJWEKXQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H21F7N2/c41-31-19-28(24-13-7-15-48-20-24)35(42)33(36(31)43)29-17-27(23-11-5-2-6-12-23)30(18-26(29)22-9-3-1-4-10-22)34-37(44)32(25-14-8-16-49-21-25)38(45)40(47)39(34)46/h1-21H.
What are the key properties of 3-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5-trifluorophenyl]pyridine?
3-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5-trifluorophenyl]pyridine has a molecular weight of 662.61 g/mol, XLogP of 11.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2,5-diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5-trifluorophenyl]pyridine is sourced from PubChem (CID 143825285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).