1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine

C26H19F3NP — CID 139240545

IUPAC1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1cccc(/N=C\c2ccccc2P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H19F3NP/c27-26(28,29)21-11-9-12-22(18-21)30-19-20-10-7-8-17-25(20)31(23-13-3-1-4-14-23)24-15-5-2-6-16-24/h1-19H/b30-19-
InChIKeyACNITMVDWAPBGB-FSGOGVSDSA-N
MW433.41 g/mol
LogP6.21
Rot. Bonds5

About 1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine

1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine (PubChem CID 139240545) has the molecular formula C26H19F3NP and a molecular weight of 433.41 g/mol. Its IUPAC name is 1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine
PubChem CID139240545
Molecular FormulaC26H19F3NP
Molecular Weight433.41 g/mol
Exact Mass433.12
IUPAC Name1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1cccc(/N=C\c2ccccc2P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H19F3NP/c27-26(28,29)21-11-9-12-22(18-21)30-19-20-10-7-8-17-25(20)31(23-13-3-1-4-14-23)24-15-5-2-6-16-24/h1-19H/b30-19-
InChIKeyACNITMVDWAPBGB-FSGOGVSDSA-N
XLogP6.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.41
LogP ≤ 56.21
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of 1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine (CID 139240545) is 1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for 1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for 1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1cccc(/N=C\c2ccccc2P(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine?
The InChIKey is ACNITMVDWAPBGB-FSGOGVSDSA-N. The full InChI is InChI=1S/C26H19F3NP/c27-26(28,29)21-11-9-12-22(18-21)30-19-20-10-7-8-17-25(20)31(23-13-3-1-4-14-23)24-15-5-2-6-16-24/h1-19H/b30-19-.
What are the key properties of 1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine?
1-(2-diphenylphosphanylphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine has a molecular weight of 433.41 g/mol, XLogP of 6.21, 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-[3-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 139240545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).