1-(2-diphenylphosphanylphenyl)ethanimine

C20H18NP — CID 139968166

IUPAC1-(2-diphenylphosphanylphenyl)ethanimine
SMILES[H]/N=C(/C)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18NP/c1-16(21)19-14-8-9-15-20(19)22(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,21H,1H3/b21-16-
InChIKeyXMDLEDQHKCTIBS-PGMHBOJBSA-N
MW303.35 g/mol
LogP3.83
Rot. Bonds4

About 1-(2-diphenylphosphanylphenyl)ethanimine

1-(2-diphenylphosphanylphenyl)ethanimine (PubChem CID 139968166) has the molecular formula C20H18NP and a molecular weight of 303.35 g/mol. Its IUPAC name is 1-(2-diphenylphosphanylphenyl)ethanimine.

Molecular Properties

Compound Name1-(2-diphenylphosphanylphenyl)ethanimine
PubChem CID139968166
Molecular FormulaC20H18NP
Molecular Weight303.35 g/mol
Exact Mass303.12
IUPAC Name1-(2-diphenylphosphanylphenyl)ethanimine
SMILES[H]/N=C(/C)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18NP/c1-16(21)19-14-8-9-15-20(19)22(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,21H,1H3/b21-16-
InChIKeyXMDLEDQHKCTIBS-PGMHBOJBSA-N
XLogP3.83
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
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)ethanimine?
The IUPAC name of 1-(2-diphenylphosphanylphenyl)ethanimine (CID 139968166) is 1-(2-diphenylphosphanylphenyl)ethanimine.
What is the SMILES notation for 1-(2-diphenylphosphanylphenyl)ethanimine?
The canonical SMILES for 1-(2-diphenylphosphanylphenyl)ethanimine is [H]/N=C(/C)c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-diphenylphosphanylphenyl)ethanimine?
The InChIKey is XMDLEDQHKCTIBS-PGMHBOJBSA-N. The full InChI is InChI=1S/C20H18NP/c1-16(21)19-14-8-9-15-20(19)22(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,21H,1H3/b21-16-.
What are the key properties of 1-(2-diphenylphosphanylphenyl)ethanimine?
1-(2-diphenylphosphanylphenyl)ethanimine has a molecular weight of 303.35 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diphenylphosphanylphenyl)ethanimine is sourced from PubChem (CID 139968166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).