4-diphenylphosphoryl-2-[4-(trifluoromethyl)phenyl]pyridine

C24H17F3NOP — CID 162407006

IUPAC4-diphenylphosphoryl-2-[4-(trifluoromethyl)phenyl]pyridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccnc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C24H17F3NOP/c25-24(26,27)19-13-11-18(12-14-19)23-17-22(15-16-28-23)30(29,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-17H
InChIKeyUYDAPTPRFHRMKH-UHFFFAOYSA-N
MW423.37 g/mol
LogP5.41
Rot. Bonds4

About 4-diphenylphosphoryl-2-[4-(trifluoromethyl)phenyl]pyridine

4-diphenylphosphoryl-2-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 162407006) has the molecular formula C24H17F3NOP and a molecular weight of 423.37 g/mol. Its IUPAC name is 4-diphenylphosphoryl-2-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-diphenylphosphoryl-2-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID162407006
Molecular FormulaC24H17F3NOP
Molecular Weight423.37 g/mol
Exact Mass423.10
IUPAC Name4-diphenylphosphoryl-2-[4-(trifluoromethyl)phenyl]pyridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccnc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C24H17F3NOP/c25-24(26,27)19-13-11-18(12-14-19)23-17-22(15-16-28-23)30(29,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-17H
InChIKeyUYDAPTPRFHRMKH-UHFFFAOYSA-N
XLogP5.41
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.37
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
2-Benzhydrylpyridine
CID 77250
2-[(Diphenylphosphoryl)methyl]pyridine
CID 780088
2,4-Bis(benzyl)pyridine
CID 96510
2-(p-Tolyl)pyridine
CID 78219
2-Phenyl-5-[(5-phenyl-3-pyridinyl)methyl]pyridine
CID 73356736
3-(4-Methylbenzylidene)anabaseine
CID 11550686
4-[[6-(4-Carbamimidoylphenyl)-3-pyridinyl]methyl]benzenecarboximidamide
CID 11709683
3-Benzylideneanabaseine
CID 22861093
3-(2,2-Dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 66829417

Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphoryl-2-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 4-diphenylphosphoryl-2-[4-(trifluoromethyl)phenyl]pyridine (CID 162407006) is 4-diphenylphosphoryl-2-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 4-diphenylphosphoryl-2-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 4-diphenylphosphoryl-2-[4-(trifluoromethyl)phenyl]pyridine is O=P(c1ccccc1)(c1ccccc1)c1ccnc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 4-diphenylphosphoryl-2-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is UYDAPTPRFHRMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3NOP/c25-24(26,27)19-13-11-18(12-14-19)23-17-22(15-16-28-23)30(29,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-17H.
What are the key properties of 4-diphenylphosphoryl-2-[4-(trifluoromethyl)phenyl]pyridine?
4-diphenylphosphoryl-2-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 423.37 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphoryl-2-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 162407006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).