2-(3,4-difluorophenyl)-8-diphenylphosphoryl-4-(4-fluorophenyl)quinoline

C33H21F3NOP — CID 155518845

IUPAC2-(3,4-difluorophenyl)-8-diphenylphosphoryl-4-(4-fluorophenyl)quinoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc2c(-c3ccc(F)cc3)cc(-c3ccc(F)c(F)c3)nc12
InChIInChI=1S/C33H21F3NOP/c34-24-17-14-22(15-18-24)28-21-31(23-16-19-29(35)30(36)20-23)37-33-27(28)12-7-13-32(33)39(38,25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-21H
InChIKeyDGFRGJSADOQCKK-UHFFFAOYSA-N
MW535.51 g/mol
LogP7.63
Rot. Bonds5

About 2-(3,4-difluorophenyl)-8-diphenylphosphoryl-4-(4-fluorophenyl)quinoline

2-(3,4-difluorophenyl)-8-diphenylphosphoryl-4-(4-fluorophenyl)quinoline (PubChem CID 155518845) has the molecular formula C33H21F3NOP and a molecular weight of 535.51 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-8-diphenylphosphoryl-4-(4-fluorophenyl)quinoline.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-8-diphenylphosphoryl-4-(4-fluorophenyl)quinoline
PubChem CID155518845
Molecular FormulaC33H21F3NOP
Molecular Weight535.51 g/mol
Exact Mass535.13
IUPAC Name2-(3,4-difluorophenyl)-8-diphenylphosphoryl-4-(4-fluorophenyl)quinoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc2c(-c3ccc(F)cc3)cc(-c3ccc(F)c(F)c3)nc12
InChIInChI=1S/C33H21F3NOP/c34-24-17-14-22(15-18-24)28-21-31(23-16-19-29(35)30(36)20-23)37-33-27(28)12-7-13-32(33)39(38,25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-21H
InChIKeyDGFRGJSADOQCKK-UHFFFAOYSA-N
XLogP7.63
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.51
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3,4-difluorophenyl)-8-diphenylphosphoryl-4-(4-fluorophenyl)quinoline?
The IUPAC name of 2-(3,4-difluorophenyl)-8-diphenylphosphoryl-4-(4-fluorophenyl)quinoline (CID 155518845) is 2-(3,4-difluorophenyl)-8-diphenylphosphoryl-4-(4-fluorophenyl)quinoline.
What is the SMILES notation for 2-(3,4-difluorophenyl)-8-diphenylphosphoryl-4-(4-fluorophenyl)quinoline?
The canonical SMILES for 2-(3,4-difluorophenyl)-8-diphenylphosphoryl-4-(4-fluorophenyl)quinoline is O=P(c1ccccc1)(c1ccccc1)c1cccc2c(-c3ccc(F)cc3)cc(-c3ccc(F)c(F)c3)nc12.
What is the InChIKey of 2-(3,4-difluorophenyl)-8-diphenylphosphoryl-4-(4-fluorophenyl)quinoline?
The InChIKey is DGFRGJSADOQCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21F3NOP/c34-24-17-14-22(15-18-24)28-21-31(23-16-19-29(35)30(36)20-23)37-33-27(28)12-7-13-32(33)39(38,25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-21H.
What are the key properties of 2-(3,4-difluorophenyl)-8-diphenylphosphoryl-4-(4-fluorophenyl)quinoline?
2-(3,4-difluorophenyl)-8-diphenylphosphoryl-4-(4-fluorophenyl)quinoline has a molecular weight of 535.51 g/mol, XLogP of 7.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-8-diphenylphosphoryl-4-(4-fluorophenyl)quinoline is sourced from PubChem (CID 155518845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).