1-(2-diphenylphosphanylphenyl)-N-(4-fluorophenyl)methanimine

C25H19FNP — CID 71362693

IUPAC1-(2-diphenylphosphanylphenyl)-N-(4-fluorophenyl)methanimine
SMILESFc1ccc(/N=C\c2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H19FNP/c26-21-15-17-22(18-16-21)27-19-20-9-7-8-14-25(20)28(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-19H/b27-19-
InChIKeyIKUNJEKCAVXREA-DIBXZPPDSA-N
MW383.41 g/mol
LogP5.33
Rot. Bonds5

About 1-(2-diphenylphosphanylphenyl)-N-(4-fluorophenyl)methanimine

1-(2-diphenylphosphanylphenyl)-N-(4-fluorophenyl)methanimine (PubChem CID 71362693) has the molecular formula C25H19FNP and a molecular weight of 383.41 g/mol. Its IUPAC name is 1-(2-diphenylphosphanylphenyl)-N-(4-fluorophenyl)methanimine.

Molecular Properties

Compound Name1-(2-diphenylphosphanylphenyl)-N-(4-fluorophenyl)methanimine
PubChem CID71362693
Molecular FormulaC25H19FNP
Molecular Weight383.41 g/mol
Exact Mass383.12
IUPAC Name1-(2-diphenylphosphanylphenyl)-N-(4-fluorophenyl)methanimine
SMILESFc1ccc(/N=C\c2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H19FNP/c26-21-15-17-22(18-16-21)27-19-20-9-7-8-14-25(20)28(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-19H/b27-19-
InChIKeyIKUNJEKCAVXREA-DIBXZPPDSA-N
XLogP5.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.41
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-Benzylideneaniline
CID 10858
N,N'-Terephthalylidene-bis(4-fluoroaniline)
CID 321189
Dibenzalbenzidine
CID 238698
N-(4-Fluorobenzylidene)-4-iodoaniline
CID 554998
N,N'-Terephthalylidenedianiline
CID 291023
N-Benzylidene-4-biphenylamine
CID 292639
N-(4-Fluorobenzylidene)aniline
CID 918392
N-(4-Fluorobenzylidene)-para-toluidine
CID 1799154
N1,N4-Dibenzylidenebenzene-1,4-diamine
CID 272373
Benzenamine, 4-fluoro-N-(phenylmethylene)-
CID 607801
Benzylidene-(4-phenylazo-phenyl)-amine
CID 601900
N-(4-Fluorobenzylidene)-4-fluoroaniline
CID 2734613

Frequently Asked Questions

What is the IUPAC name of 1-(2-diphenylphosphanylphenyl)-N-(4-fluorophenyl)methanimine?
The IUPAC name of 1-(2-diphenylphosphanylphenyl)-N-(4-fluorophenyl)methanimine (CID 71362693) is 1-(2-diphenylphosphanylphenyl)-N-(4-fluorophenyl)methanimine.
What is the SMILES notation for 1-(2-diphenylphosphanylphenyl)-N-(4-fluorophenyl)methanimine?
The canonical SMILES for 1-(2-diphenylphosphanylphenyl)-N-(4-fluorophenyl)methanimine is Fc1ccc(/N=C\c2ccccc2P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(2-diphenylphosphanylphenyl)-N-(4-fluorophenyl)methanimine?
The InChIKey is IKUNJEKCAVXREA-DIBXZPPDSA-N. The full InChI is InChI=1S/C25H19FNP/c26-21-15-17-22(18-16-21)27-19-20-9-7-8-14-25(20)28(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-19H/b27-19-.
What are the key properties of 1-(2-diphenylphosphanylphenyl)-N-(4-fluorophenyl)methanimine?
1-(2-diphenylphosphanylphenyl)-N-(4-fluorophenyl)methanimine has a molecular weight of 383.41 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diphenylphosphanylphenyl)-N-(4-fluorophenyl)methanimine is sourced from PubChem (CID 71362693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).