2,6-bis[6-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine

C39H25F4N3O2P2 — CID 88535802

IUPAC2,6-bis[6-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine
SMILESO=P(c1ccc(F)cc1)(c1ccc(F)cc1)c1cccc(-c2cccc(-c3cccc(P(=O)(c4ccc(F)cc4)c4ccc(F)cc4)n3)n2)n1
InChIInChI=1S/C39H25F4N3O2P2/c40-26-10-18-30(19-11-26)49(47,31-20-12-27(41)13-21-31)38-8-2-6-36(45-38)34-4-1-5-35(44-34)37-7-3-9-39(46-37)50(48,32-22-14-28(42)15-23-32)33-24-16-29(43)17-25-33/h1-25H
InChIKeyJNXXBUHANWSNRX-UHFFFAOYSA-N
MW705.59 g/mol
LogP7.04
Rot. Bonds8

About 2,6-bis[6-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine

2,6-bis[6-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine (PubChem CID 88535802) has the molecular formula C39H25F4N3O2P2 and a molecular weight of 705.59 g/mol. Its IUPAC name is 2,6-bis[6-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2,6-bis[6-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine
PubChem CID88535802
Molecular FormulaC39H25F4N3O2P2
Molecular Weight705.59 g/mol
Exact Mass705.14
IUPAC Name2,6-bis[6-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine
SMILESO=P(c1ccc(F)cc1)(c1ccc(F)cc1)c1cccc(-c2cccc(-c3cccc(P(=O)(c4ccc(F)cc4)c4ccc(F)cc4)n3)n2)n1
InChIInChI=1S/C39H25F4N3O2P2/c40-26-10-18-30(19-11-26)49(47,31-20-12-27(41)13-21-31)38-8-2-6-36(45-38)34-4-1-5-35(44-34)37-7-3-9-39(46-37)50(48,32-22-14-28(42)15-23-32)33-24-16-29(43)17-25-33/h1-25H
InChIKeyJNXXBUHANWSNRX-UHFFFAOYSA-N
XLogP7.04
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.59
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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[6-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine?
The IUPAC name of 2,6-bis[6-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine (CID 88535802) is 2,6-bis[6-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine.
What is the SMILES notation for 2,6-bis[6-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine?
The canonical SMILES for 2,6-bis[6-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine is O=P(c1ccc(F)cc1)(c1ccc(F)cc1)c1cccc(-c2cccc(-c3cccc(P(=O)(c4ccc(F)cc4)c4ccc(F)cc4)n3)n2)n1.
What is the InChIKey of 2,6-bis[6-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine?
The InChIKey is JNXXBUHANWSNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25F4N3O2P2/c40-26-10-18-30(19-11-26)49(47,31-20-12-27(41)13-21-31)38-8-2-6-36(45-38)34-4-1-5-35(44-34)37-7-3-9-39(46-37)50(48,32-22-14-28(42)15-23-32)33-24-16-29(43)17-25-33/h1-25H.
What are the key properties of 2,6-bis[6-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine?
2,6-bis[6-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine has a molecular weight of 705.59 g/mol, XLogP of 7.04, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[6-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine is sourced from PubChem (CID 88535802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).