(E)-N-diphenylphosphoryl-1-(3-methylphenyl)methanimine

C20H18NOP — CID 11267150

IUPAC(E)-N-diphenylphosphoryl-1-(3-methylphenyl)methanimine
SMILESCc1cccc(/C=N/P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H18NOP/c1-17-9-8-10-18(15-17)16-21-23(22,19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-16H,1H3/b21-16+
InChIKeyXDQKRZVQRXARDU-LTGZKZEYSA-N
MW319.34 g/mol
LogP4.34
Rot. Bonds4

About (E)-N-diphenylphosphoryl-1-(3-methylphenyl)methanimine

(E)-N-diphenylphosphoryl-1-(3-methylphenyl)methanimine (PubChem CID 11267150) has the molecular formula C20H18NOP and a molecular weight of 319.34 g/mol. Its IUPAC name is (E)-N-diphenylphosphoryl-1-(3-methylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-diphenylphosphoryl-1-(3-methylphenyl)methanimine
PubChem CID11267150
Molecular FormulaC20H18NOP
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name(E)-N-diphenylphosphoryl-1-(3-methylphenyl)methanimine
SMILESCc1cccc(/C=N/P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H18NOP/c1-17-9-8-10-18(15-17)16-21-23(22,19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-16H,1H3/b21-16+
InChIKeyXDQKRZVQRXARDU-LTGZKZEYSA-N
XLogP4.34
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.34
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 (E)-N-diphenylphosphoryl-1-(3-methylphenyl)methanimine?
The IUPAC name of (E)-N-diphenylphosphoryl-1-(3-methylphenyl)methanimine (CID 11267150) is (E)-N-diphenylphosphoryl-1-(3-methylphenyl)methanimine.
What is the SMILES notation for (E)-N-diphenylphosphoryl-1-(3-methylphenyl)methanimine?
The canonical SMILES for (E)-N-diphenylphosphoryl-1-(3-methylphenyl)methanimine is Cc1cccc(/C=N/P(=O)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (E)-N-diphenylphosphoryl-1-(3-methylphenyl)methanimine?
The InChIKey is XDQKRZVQRXARDU-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H18NOP/c1-17-9-8-10-18(15-17)16-21-23(22,19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-16H,1H3/b21-16+.
What are the key properties of (E)-N-diphenylphosphoryl-1-(3-methylphenyl)methanimine?
(E)-N-diphenylphosphoryl-1-(3-methylphenyl)methanimine has a molecular weight of 319.34 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-diphenylphosphoryl-1-(3-methylphenyl)methanimine is sourced from PubChem (CID 11267150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).