2-[3-diphenylphosphoryl-6-(4-diphenylphosphoryl-3,5-difluoro-2-pyridin-2-ylphenyl)-2,4-difluorophenyl]pyridine

C46H30F4N2O2P2 — CID 177491180

IUPAC2-[3-diphenylphosphoryl-6-(4-diphenylphosphoryl-3,5-difluoro-2-pyridin-2-ylphenyl)-2,4-difluorophenyl]pyridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1c(F)cc(-c2cc(F)c(P(=O)(c3ccccc3)c3ccccc3)c(F)c2-c2ccccn2)c(-c2ccccn2)c1F
InChIInChI=1S/C46H30F4N2O2P2/c47-37-29-35(41(39-25-13-15-27-51-39)43(49)45(37)55(53,31-17-5-1-6-18-31)32-19-7-2-8-20-32)36-30-38(48)46(44(50)42(36)40-26-14-16-28-52-40)56(54,33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-30H
InChIKeyXONAVWDKXFXQFF-UHFFFAOYSA-N
MW780.70 g/mol
LogP9.31
Rot. Bonds9

About 2-[3-diphenylphosphoryl-6-(4-diphenylphosphoryl-3,5-difluoro-2-pyridin-2-ylphenyl)-2,4-difluorophenyl]pyridine

2-[3-diphenylphosphoryl-6-(4-diphenylphosphoryl-3,5-difluoro-2-pyridin-2-ylphenyl)-2,4-difluorophenyl]pyridine (PubChem CID 177491180) has the molecular formula C46H30F4N2O2P2 and a molecular weight of 780.70 g/mol. Its IUPAC name is 2-[3-diphenylphosphoryl-6-(4-diphenylphosphoryl-3,5-difluoro-2-pyridin-2-ylphenyl)-2,4-difluorophenyl]pyridine.

Molecular Properties

Compound Name2-[3-diphenylphosphoryl-6-(4-diphenylphosphoryl-3,5-difluoro-2-pyridin-2-ylphenyl)-2,4-difluorophenyl]pyridine
PubChem CID177491180
Molecular FormulaC46H30F4N2O2P2
Molecular Weight780.70 g/mol
Exact Mass780.17
IUPAC Name2-[3-diphenylphosphoryl-6-(4-diphenylphosphoryl-3,5-difluoro-2-pyridin-2-ylphenyl)-2,4-difluorophenyl]pyridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1c(F)cc(-c2cc(F)c(P(=O)(c3ccccc3)c3ccccc3)c(F)c2-c2ccccn2)c(-c2ccccn2)c1F
InChIInChI=1S/C46H30F4N2O2P2/c47-37-29-35(41(39-25-13-15-27-51-39)43(49)45(37)55(53,31-17-5-1-6-18-31)32-19-7-2-8-20-32)36-30-38(48)46(44(50)42(36)40-26-14-16-28-52-40)56(54,33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-30H
InChIKeyXONAVWDKXFXQFF-UHFFFAOYSA-N
XLogP9.31
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.70
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-diphenylphosphoryl-6-(4-diphenylphosphoryl-3,5-difluoro-2-pyridin-2-ylphenyl)-2,4-difluorophenyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-diphenylphosphoryl-1,2,4,5-tetrafluorobenzene
CID 172559214
2-diphenylphosphorylpyridine
CID 3496437
4-tert-butyl-2-[5-[[3-(4-tert-butyl-2-pyridinyl)-4-fluorophenyl]-phenylphosphoryl]-2-fluorophenyl]pyridine
CID 58661096
2-(2,5-difluoro-4-methylphenyl)pyridine
CID 170974832
2-(4,5-difluoro-2-methylphenyl)pyridine;ethane
CID 145481986
2-[7-[phenyl-(7-pyridin-2-yldibenzothiophen-3-yl)phosphoryl]dibenzothiophen-3-yl]pyridine
CID 134596143
2,6-difluoro-4-pyridin-2-ylbenzoic acid
CID 176582239
2-(4-chloro-2-fluorophenyl)pyridine
CID 57200729
4-[2,6-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine
CID 137420028
(1S,2S)-2-diphenylphosphoryl-2-fluoro-1-pyridin-2-ylethanol
CID 101097525
2-fluoro-5-pyridin-2-ylbenzoic acid
CID 63679251
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847

Frequently Asked Questions

What is the IUPAC name of 2-[3-diphenylphosphoryl-6-(4-diphenylphosphoryl-3,5-difluoro-2-pyridin-2-ylphenyl)-2,4-difluorophenyl]pyridine?
The IUPAC name of 2-[3-diphenylphosphoryl-6-(4-diphenylphosphoryl-3,5-difluoro-2-pyridin-2-ylphenyl)-2,4-difluorophenyl]pyridine (CID 177491180) is 2-[3-diphenylphosphoryl-6-(4-diphenylphosphoryl-3,5-difluoro-2-pyridin-2-ylphenyl)-2,4-difluorophenyl]pyridine.
What is the SMILES notation for 2-[3-diphenylphosphoryl-6-(4-diphenylphosphoryl-3,5-difluoro-2-pyridin-2-ylphenyl)-2,4-difluorophenyl]pyridine?
The canonical SMILES for 2-[3-diphenylphosphoryl-6-(4-diphenylphosphoryl-3,5-difluoro-2-pyridin-2-ylphenyl)-2,4-difluorophenyl]pyridine is O=P(c1ccccc1)(c1ccccc1)c1c(F)cc(-c2cc(F)c(P(=O)(c3ccccc3)c3ccccc3)c(F)c2-c2ccccn2)c(-c2ccccn2)c1F.
What is the InChIKey of 2-[3-diphenylphosphoryl-6-(4-diphenylphosphoryl-3,5-difluoro-2-pyridin-2-ylphenyl)-2,4-difluorophenyl]pyridine?
The InChIKey is XONAVWDKXFXQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30F4N2O2P2/c47-37-29-35(41(39-25-13-15-27-51-39)43(49)45(37)55(53,31-17-5-1-6-18-31)32-19-7-2-8-20-32)36-30-38(48)46(44(50)42(36)40-26-14-16-28-52-40)56(54,33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-30H.
What are the key properties of 2-[3-diphenylphosphoryl-6-(4-diphenylphosphoryl-3,5-difluoro-2-pyridin-2-ylphenyl)-2,4-difluorophenyl]pyridine?
2-[3-diphenylphosphoryl-6-(4-diphenylphosphoryl-3,5-difluoro-2-pyridin-2-ylphenyl)-2,4-difluorophenyl]pyridine has a molecular weight of 780.70 g/mol, XLogP of 9.31, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-diphenylphosphoryl-6-(4-diphenylphosphoryl-3,5-difluoro-2-pyridin-2-ylphenyl)-2,4-difluorophenyl]pyridine is sourced from PubChem (CID 177491180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).