2,6-bis[3-bis(4-fluorophenyl)phosphorylphenyl]pyridine

C41H27F4NO2P2 — CID 88865192

IUPAC2,6-bis[3-bis(4-fluorophenyl)phosphorylphenyl]pyridine
SMILESO=P(c1ccc(F)cc1)(c1ccc(F)cc1)c1cccc(-c2cccc(-c3cccc(P(=O)(c4ccc(F)cc4)c4ccc(F)cc4)c3)n2)c1
InChIInChI=1S/C41H27F4NO2P2/c42-30-10-18-34(19-11-30)49(47,35-20-12-31(43)13-21-35)38-6-1-4-28(26-38)40-8-3-9-41(46-40)29-5-2-7-39(27-29)50(48,36-22-14-32(44)15-23-36)37-24-16-33(45)17-25-37/h1-27H
InChIKeyLJWUIVZLMRACDU-UHFFFAOYSA-N
MW703.61 g/mol
LogP8.25
Rot. Bonds8

About 2,6-bis[3-bis(4-fluorophenyl)phosphorylphenyl]pyridine

2,6-bis[3-bis(4-fluorophenyl)phosphorylphenyl]pyridine (PubChem CID 88865192) has the molecular formula C41H27F4NO2P2 and a molecular weight of 703.61 g/mol. Its IUPAC name is 2,6-bis[3-bis(4-fluorophenyl)phosphorylphenyl]pyridine.

Molecular Properties

Compound Name2,6-bis[3-bis(4-fluorophenyl)phosphorylphenyl]pyridine
PubChem CID88865192
Molecular FormulaC41H27F4NO2P2
Molecular Weight703.61 g/mol
Exact Mass703.15
IUPAC Name2,6-bis[3-bis(4-fluorophenyl)phosphorylphenyl]pyridine
SMILESO=P(c1ccc(F)cc1)(c1ccc(F)cc1)c1cccc(-c2cccc(-c3cccc(P(=O)(c4ccc(F)cc4)c4ccc(F)cc4)c3)n2)c1
InChIInChI=1S/C41H27F4NO2P2/c42-30-10-18-34(19-11-30)49(47,35-20-12-31(43)13-21-35)38-6-1-4-28(26-38)40-8-3-9-41(46-40)29-5-2-7-39(27-29)50(48,36-22-14-32(44)15-23-36)37-24-16-33(45)17-25-37/h1-27H
InChIKeyLJWUIVZLMRACDU-UHFFFAOYSA-N
XLogP8.25
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.61
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3-bis(4-fluorophenyl)phosphorylphenyl]pyridine?
The IUPAC name of 2,6-bis[3-bis(4-fluorophenyl)phosphorylphenyl]pyridine (CID 88865192) is 2,6-bis[3-bis(4-fluorophenyl)phosphorylphenyl]pyridine.
What is the SMILES notation for 2,6-bis[3-bis(4-fluorophenyl)phosphorylphenyl]pyridine?
The canonical SMILES for 2,6-bis[3-bis(4-fluorophenyl)phosphorylphenyl]pyridine is O=P(c1ccc(F)cc1)(c1ccc(F)cc1)c1cccc(-c2cccc(-c3cccc(P(=O)(c4ccc(F)cc4)c4ccc(F)cc4)c3)n2)c1.
What is the InChIKey of 2,6-bis[3-bis(4-fluorophenyl)phosphorylphenyl]pyridine?
The InChIKey is LJWUIVZLMRACDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27F4NO2P2/c42-30-10-18-34(19-11-30)49(47,35-20-12-31(43)13-21-35)38-6-1-4-28(26-38)40-8-3-9-41(46-40)29-5-2-7-39(27-29)50(48,36-22-14-32(44)15-23-36)37-24-16-33(45)17-25-37/h1-27H.
What are the key properties of 2,6-bis[3-bis(4-fluorophenyl)phosphorylphenyl]pyridine?
2,6-bis[3-bis(4-fluorophenyl)phosphorylphenyl]pyridine has a molecular weight of 703.61 g/mol, XLogP of 8.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3-bis(4-fluorophenyl)phosphorylphenyl]pyridine is sourced from PubChem (CID 88865192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).