2-(2-diphenylphosphanylphenyl)-1-phenylethanimine

C26H22NP — CID 123522182

IUPAC2-(2-diphenylphosphanylphenyl)-1-phenylethanimine
SMILES[H]/N=C(/Cc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22NP/c27-25(21-12-4-1-5-13-21)20-22-14-10-11-19-26(22)28(23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-19,27H,20H2/b27-25-
InChIKeyIDCZNZJMNSSFFX-RFBIWTDZSA-N
MW379.44 g/mol
LogP5.06
Rot. Bonds6

About 2-(2-diphenylphosphanylphenyl)-1-phenylethanimine

2-(2-diphenylphosphanylphenyl)-1-phenylethanimine (PubChem CID 123522182) has the molecular formula C26H22NP and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-(2-diphenylphosphanylphenyl)-1-phenylethanimine.

Molecular Properties

Compound Name2-(2-diphenylphosphanylphenyl)-1-phenylethanimine
PubChem CID123522182
Molecular FormulaC26H22NP
Molecular Weight379.44 g/mol
Exact Mass379.15
IUPAC Name2-(2-diphenylphosphanylphenyl)-1-phenylethanimine
SMILES[H]/N=C(/Cc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22NP/c27-25(21-12-4-1-5-13-21)20-22-14-10-11-19-26(22)28(23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-19,27H,20H2/b27-25-
InChIKeyIDCZNZJMNSSFFX-RFBIWTDZSA-N
XLogP5.06
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.44
LogP ≤ 55.06
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 2-(2-diphenylphosphanylphenyl)-1-phenylethanimine?
The IUPAC name of 2-(2-diphenylphosphanylphenyl)-1-phenylethanimine (CID 123522182) is 2-(2-diphenylphosphanylphenyl)-1-phenylethanimine.
What is the SMILES notation for 2-(2-diphenylphosphanylphenyl)-1-phenylethanimine?
The canonical SMILES for 2-(2-diphenylphosphanylphenyl)-1-phenylethanimine is [H]/N=C(/Cc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-diphenylphosphanylphenyl)-1-phenylethanimine?
The InChIKey is IDCZNZJMNSSFFX-RFBIWTDZSA-N. The full InChI is InChI=1S/C26H22NP/c27-25(21-12-4-1-5-13-21)20-22-14-10-11-19-26(22)28(23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-19,27H,20H2/b27-25-.
What are the key properties of 2-(2-diphenylphosphanylphenyl)-1-phenylethanimine?
2-(2-diphenylphosphanylphenyl)-1-phenylethanimine has a molecular weight of 379.44 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diphenylphosphanylphenyl)-1-phenylethanimine is sourced from PubChem (CID 123522182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).