5-bis(4-fluorophenyl)phosphoryl-2-[5-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine

C34H22F4N2O2P2 — CID 88865174

IUPAC5-bis(4-fluorophenyl)phosphoryl-2-[5-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine
SMILESO=P(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(-c2ccc(P(=O)(c3ccc(F)cc3)c3ccc(F)cc3)cn2)nc1
InChIInChI=1S/C34H22F4N2O2P2/c35-23-1-9-27(10-2-23)43(41,28-11-3-24(36)4-12-28)31-17-19-33(39-21-31)34-20-18-32(22-40-34)44(42,29-13-5-25(37)6-14-29)30-15-7-26(38)8-16-30/h1-22H
InChIKeyUNUSTWXKVIDWAT-UHFFFAOYSA-N
MW628.50 g/mol
LogP5.98
Rot. Bonds7

About 5-bis(4-fluorophenyl)phosphoryl-2-[5-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine

5-bis(4-fluorophenyl)phosphoryl-2-[5-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine (PubChem CID 88865174) has the molecular formula C34H22F4N2O2P2 and a molecular weight of 628.50 g/mol. Its IUPAC name is 5-bis(4-fluorophenyl)phosphoryl-2-[5-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine.

Molecular Properties

Compound Name5-bis(4-fluorophenyl)phosphoryl-2-[5-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine
PubChem CID88865174
Molecular FormulaC34H22F4N2O2P2
Molecular Weight628.50 g/mol
Exact Mass628.11
IUPAC Name5-bis(4-fluorophenyl)phosphoryl-2-[5-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine
SMILESO=P(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(-c2ccc(P(=O)(c3ccc(F)cc3)c3ccc(F)cc3)cn2)nc1
InChIInChI=1S/C34H22F4N2O2P2/c35-23-1-9-27(10-2-23)43(41,28-11-3-24(36)4-12-28)31-17-19-33(39-21-31)34-20-18-32(22-40-34)44(42,29-13-5-25(37)6-14-29)30-15-7-26(38)8-16-30/h1-22H
InChIKeyUNUSTWXKVIDWAT-UHFFFAOYSA-N
XLogP5.98
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.50
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bis(4-fluorophenyl)phosphoryl-2-[5-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine?
The IUPAC name of 5-bis(4-fluorophenyl)phosphoryl-2-[5-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine (CID 88865174) is 5-bis(4-fluorophenyl)phosphoryl-2-[5-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine.
What is the SMILES notation for 5-bis(4-fluorophenyl)phosphoryl-2-[5-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine?
The canonical SMILES for 5-bis(4-fluorophenyl)phosphoryl-2-[5-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine is O=P(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(-c2ccc(P(=O)(c3ccc(F)cc3)c3ccc(F)cc3)cn2)nc1.
What is the InChIKey of 5-bis(4-fluorophenyl)phosphoryl-2-[5-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine?
The InChIKey is UNUSTWXKVIDWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22F4N2O2P2/c35-23-1-9-27(10-2-23)43(41,28-11-3-24(36)4-12-28)31-17-19-33(39-21-31)34-20-18-32(22-40-34)44(42,29-13-5-25(37)6-14-29)30-15-7-26(38)8-16-30/h1-22H.
What are the key properties of 5-bis(4-fluorophenyl)phosphoryl-2-[5-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine?
5-bis(4-fluorophenyl)phosphoryl-2-[5-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine has a molecular weight of 628.50 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bis(4-fluorophenyl)phosphoryl-2-[5-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine is sourced from PubChem (CID 88865174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).