4-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(pyridin-4-ylmethyl)phenyl]phenyl]methyl]pyridine

C24H12F8N2 — CID 91565091

IUPAC4-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(pyridin-4-ylmethyl)phenyl]phenyl]methyl]pyridine
SMILESFc1c(F)c(-c2c(F)c(F)c(Cc3ccncc3)c(F)c2F)c(F)c(F)c1Cc1ccncc1
InChIInChI=1S/C24H12F8N2/c25-17-13(9-11-1-5-33-6-2-11)18(26)22(30)15(21(17)29)16-23(31)19(27)14(20(28)24(16)32)10-12-3-7-34-8-4-12/h1-8H,9-10H2
InChIKeyMSXJKENXFUGKOV-UHFFFAOYSA-N
MW480.36 g/mol
LogP6.44
Rot. Bonds5

About 4-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(pyridin-4-ylmethyl)phenyl]phenyl]methyl]pyridine

4-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(pyridin-4-ylmethyl)phenyl]phenyl]methyl]pyridine (PubChem CID 91565091) has the molecular formula C24H12F8N2 and a molecular weight of 480.36 g/mol. Its IUPAC name is 4-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(pyridin-4-ylmethyl)phenyl]phenyl]methyl]pyridine.

Molecular Properties

Compound Name4-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(pyridin-4-ylmethyl)phenyl]phenyl]methyl]pyridine
PubChem CID91565091
Molecular FormulaC24H12F8N2
Molecular Weight480.36 g/mol
Exact Mass480.09
IUPAC Name4-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(pyridin-4-ylmethyl)phenyl]phenyl]methyl]pyridine
SMILESFc1c(F)c(-c2c(F)c(F)c(Cc3ccncc3)c(F)c2F)c(F)c(F)c1Cc1ccncc1
InChIInChI=1S/C24H12F8N2/c25-17-13(9-11-1-5-33-6-2-11)18(26)22(30)15(21(17)29)16-23(31)19(27)14(20(28)24(16)32)10-12-3-7-34-8-4-12/h1-8H,9-10H2
InChIKeyMSXJKENXFUGKOV-UHFFFAOYSA-N
XLogP6.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.36
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(pyridin-4-ylmethyl)phenyl]phenyl]methyl]pyridine with MolForge

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Related Compounds

4-Phenylpyridine
CID 13651
4,4'-Bipyridine
CID 11107
3-Phenylpyridine
CID 13886
4-(3-Phenylpropyl)pyridine
CID 74937
4-Benzylpyridine
CID 16458
1,3-Bis(4-pyridyl)propane
CID 87019
3-Benzhydrylpyridine
CID 77251
4-Benzhydrylpyridine
CID 77252
BC-1215
CID 72201045
Benzylviologen
CID 14196
3-Phenyl-4-propylpyridine
CID 104638
1,2-Bis(4-pyridyl)ethane
CID 78630

Frequently Asked Questions

What is the IUPAC name of 4-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(pyridin-4-ylmethyl)phenyl]phenyl]methyl]pyridine?
The IUPAC name of 4-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(pyridin-4-ylmethyl)phenyl]phenyl]methyl]pyridine (CID 91565091) is 4-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(pyridin-4-ylmethyl)phenyl]phenyl]methyl]pyridine.
What is the SMILES notation for 4-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(pyridin-4-ylmethyl)phenyl]phenyl]methyl]pyridine?
The canonical SMILES for 4-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(pyridin-4-ylmethyl)phenyl]phenyl]methyl]pyridine is Fc1c(F)c(-c2c(F)c(F)c(Cc3ccncc3)c(F)c2F)c(F)c(F)c1Cc1ccncc1.
What is the InChIKey of 4-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(pyridin-4-ylmethyl)phenyl]phenyl]methyl]pyridine?
The InChIKey is MSXJKENXFUGKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12F8N2/c25-17-13(9-11-1-5-33-6-2-11)18(26)22(30)15(21(17)29)16-23(31)19(27)14(20(28)24(16)32)10-12-3-7-34-8-4-12/h1-8H,9-10H2.
What are the key properties of 4-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(pyridin-4-ylmethyl)phenyl]phenyl]methyl]pyridine?
4-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(pyridin-4-ylmethyl)phenyl]phenyl]methyl]pyridine has a molecular weight of 480.36 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(pyridin-4-ylmethyl)phenyl]phenyl]methyl]pyridine is sourced from PubChem (CID 91565091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).