2,3,4,5,6-pentafluoro-N-[phenyl-(2-phenylphenyl)phosphoryl]aniline

C24H15F5NOP — CID 102369204

IUPAC2,3,4,5,6-pentafluoro-N-[phenyl-(2-phenylphenyl)phosphoryl]aniline
SMILESO=P(Nc1c(F)c(F)c(F)c(F)c1F)(c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C24H15F5NOP/c25-19-20(26)22(28)24(23(29)21(19)27)30-32(31,16-11-5-2-6-12-16)18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1-14H,(H,30,31)
InChIKeyUXGKCQLYJKZRNK-UHFFFAOYSA-N
MW459.35 g/mol
LogP6.39
Rot. Bonds5

About 2,3,4,5,6-pentafluoro-N-[phenyl-(2-phenylphenyl)phosphoryl]aniline

2,3,4,5,6-pentafluoro-N-[phenyl-(2-phenylphenyl)phosphoryl]aniline (PubChem CID 102369204) has the molecular formula C24H15F5NOP and a molecular weight of 459.35 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[phenyl-(2-phenylphenyl)phosphoryl]aniline.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-[phenyl-(2-phenylphenyl)phosphoryl]aniline
PubChem CID102369204
Molecular FormulaC24H15F5NOP
Molecular Weight459.35 g/mol
Exact Mass459.08
IUPAC Name2,3,4,5,6-pentafluoro-N-[phenyl-(2-phenylphenyl)phosphoryl]aniline
SMILESO=P(Nc1c(F)c(F)c(F)c(F)c1F)(c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C24H15F5NOP/c25-19-20(26)22(28)24(23(29)21(19)27)30-32(31,16-11-5-2-6-12-16)18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1-14H,(H,30,31)
InChIKeyUXGKCQLYJKZRNK-UHFFFAOYSA-N
XLogP6.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.35
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-[phenyl-(2-phenylphenyl)phosphoryl]aniline?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-[phenyl-(2-phenylphenyl)phosphoryl]aniline (CID 102369204) is 2,3,4,5,6-pentafluoro-N-[phenyl-(2-phenylphenyl)phosphoryl]aniline.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[phenyl-(2-phenylphenyl)phosphoryl]aniline?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[phenyl-(2-phenylphenyl)phosphoryl]aniline is O=P(Nc1c(F)c(F)c(F)c(F)c1F)(c1ccccc1)c1ccccc1-c1ccccc1.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[phenyl-(2-phenylphenyl)phosphoryl]aniline?
The InChIKey is UXGKCQLYJKZRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F5NOP/c25-19-20(26)22(28)24(23(29)21(19)27)30-32(31,16-11-5-2-6-12-16)18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1-14H,(H,30,31).
What are the key properties of 2,3,4,5,6-pentafluoro-N-[phenyl-(2-phenylphenyl)phosphoryl]aniline?
2,3,4,5,6-pentafluoro-N-[phenyl-(2-phenylphenyl)phosphoryl]aniline has a molecular weight of 459.35 g/mol, XLogP of 6.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-[phenyl-(2-phenylphenyl)phosphoryl]aniline is sourced from PubChem (CID 102369204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).