8-diphenylphosphoryl-4-(4-fluorophenyl)-2-phenylquinoline

C33H23FNOP — CID 155536046

IUPAC8-diphenylphosphoryl-4-(4-fluorophenyl)-2-phenylquinoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc2c(-c3ccc(F)cc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C33H23FNOP/c34-26-21-19-24(20-22-26)30-23-31(25-11-4-1-5-12-25)35-33-29(30)17-10-18-32(33)37(36,27-13-6-2-7-14-27)28-15-8-3-9-16-28/h1-23H
InChIKeyLBAXOZBHGPONGY-UHFFFAOYSA-N
MW499.53 g/mol
LogP7.35
Rot. Bonds5

About 8-diphenylphosphoryl-4-(4-fluorophenyl)-2-phenylquinoline

8-diphenylphosphoryl-4-(4-fluorophenyl)-2-phenylquinoline (PubChem CID 155536046) has the molecular formula C33H23FNOP and a molecular weight of 499.53 g/mol. Its IUPAC name is 8-diphenylphosphoryl-4-(4-fluorophenyl)-2-phenylquinoline.

Molecular Properties

Compound Name8-diphenylphosphoryl-4-(4-fluorophenyl)-2-phenylquinoline
PubChem CID155536046
Molecular FormulaC33H23FNOP
Molecular Weight499.53 g/mol
Exact Mass499.15
IUPAC Name8-diphenylphosphoryl-4-(4-fluorophenyl)-2-phenylquinoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc2c(-c3ccc(F)cc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C33H23FNOP/c34-26-21-19-24(20-22-26)30-23-31(25-11-4-1-5-12-25)35-33-29(30)17-10-18-32(33)37(36,27-13-6-2-7-14-27)28-15-8-3-9-16-28/h1-23H
InChIKeyLBAXOZBHGPONGY-UHFFFAOYSA-N
XLogP7.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.53
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-diphenylphosphoryl-4-(4-fluorophenyl)-2-phenylquinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-diphenylphosphoryl-4-(4-fluorophenyl)-2-phenylquinoline?
The IUPAC name of 8-diphenylphosphoryl-4-(4-fluorophenyl)-2-phenylquinoline (CID 155536046) is 8-diphenylphosphoryl-4-(4-fluorophenyl)-2-phenylquinoline.
What is the SMILES notation for 8-diphenylphosphoryl-4-(4-fluorophenyl)-2-phenylquinoline?
The canonical SMILES for 8-diphenylphosphoryl-4-(4-fluorophenyl)-2-phenylquinoline is O=P(c1ccccc1)(c1ccccc1)c1cccc2c(-c3ccc(F)cc3)cc(-c3ccccc3)nc12.
What is the InChIKey of 8-diphenylphosphoryl-4-(4-fluorophenyl)-2-phenylquinoline?
The InChIKey is LBAXOZBHGPONGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23FNOP/c34-26-21-19-24(20-22-26)30-23-31(25-11-4-1-5-12-25)35-33-29(30)17-10-18-32(33)37(36,27-13-6-2-7-14-27)28-15-8-3-9-16-28/h1-23H.
What are the key properties of 8-diphenylphosphoryl-4-(4-fluorophenyl)-2-phenylquinoline?
8-diphenylphosphoryl-4-(4-fluorophenyl)-2-phenylquinoline has a molecular weight of 499.53 g/mol, XLogP of 7.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-diphenylphosphoryl-4-(4-fluorophenyl)-2-phenylquinoline is sourced from PubChem (CID 155536046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).