(E)-N,1-bis(diphenylphosphoryl)propan-2-imine

C27H25NO2P2 — CID 10813717

IUPAC(E)-N,1-bis(diphenylphosphoryl)propan-2-imine
SMILESC/C(CP(=O)(c1ccccc1)c1ccccc1)=N\P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25NO2P2/c1-23(22-31(29,24-14-6-2-7-15-24)25-16-8-3-9-17-25)28-32(30,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21H,22H2,1H3/b28-23+
InChIKeyJUTNPXGUKJLQIZ-WEMUOSSPSA-N
MW457.45 g/mol
LogP5.39
Rot. Bonds7

About (E)-N,1-bis(diphenylphosphoryl)propan-2-imine

(E)-N,1-bis(diphenylphosphoryl)propan-2-imine (PubChem CID 10813717) has the molecular formula C27H25NO2P2 and a molecular weight of 457.45 g/mol. Its IUPAC name is (E)-N,1-bis(diphenylphosphoryl)propan-2-imine.

Molecular Properties

Compound Name(E)-N,1-bis(diphenylphosphoryl)propan-2-imine
PubChem CID10813717
Molecular FormulaC27H25NO2P2
Molecular Weight457.45 g/mol
Exact Mass457.14
IUPAC Name(E)-N,1-bis(diphenylphosphoryl)propan-2-imine
SMILESC/C(CP(=O)(c1ccccc1)c1ccccc1)=N\P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25NO2P2/c1-23(22-31(29,24-14-6-2-7-15-24)25-16-8-3-9-17-25)28-32(30,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21H,22H2,1H3/b28-23+
InChIKeyJUTNPXGUKJLQIZ-WEMUOSSPSA-N
XLogP5.39
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.45
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NZ)-N-(1-diphenylphosphorylpropan-2-ylidene)hydroxylamine
CID 102093434
N-(4-chlorophenyl)-1-diphenylphosphorylpropan-2-imine
CID 11089901
1-diphenylphosphoryl-3,3-dimethylbutan-2-one
CID 2752007
CID 102143449
CID 102143449
[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
CID 170659309
[(3-methyl-2-prop-2-enoxybut-2-enyl)-phenylphosphoryl]benzene
CID 15697074
5-(diphenylphosphorylmethyl)-2-methyl-1,3-thiazole
CID 11781963
4-diphenylphosphoryl-3-methylbutan-2-one
CID 13202522
1-(diphenylphosphorylmethyl)-2,3,4,5,6-pentamethylbenzene
CID 2776719
(E,E)-N-diphenylphosphoryl-4-(4-methylphenyl)but-3-en-2-imine
CID 10666173
9-(1-chloro-2-diphenylphosphorylethylidene)fluorene
CID 139098080
(2R)-2-(diphenylphosphorylmethyl)-2-phenyloxirane
CID 10711759

Frequently Asked Questions

What is the IUPAC name of (E)-N,1-bis(diphenylphosphoryl)propan-2-imine?
The IUPAC name of (E)-N,1-bis(diphenylphosphoryl)propan-2-imine (CID 10813717) is (E)-N,1-bis(diphenylphosphoryl)propan-2-imine.
What is the SMILES notation for (E)-N,1-bis(diphenylphosphoryl)propan-2-imine?
The canonical SMILES for (E)-N,1-bis(diphenylphosphoryl)propan-2-imine is C/C(CP(=O)(c1ccccc1)c1ccccc1)=N\P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N,1-bis(diphenylphosphoryl)propan-2-imine?
The InChIKey is JUTNPXGUKJLQIZ-WEMUOSSPSA-N. The full InChI is InChI=1S/C27H25NO2P2/c1-23(22-31(29,24-14-6-2-7-15-24)25-16-8-3-9-17-25)28-32(30,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21H,22H2,1H3/b28-23+.
What are the key properties of (E)-N,1-bis(diphenylphosphoryl)propan-2-imine?
(E)-N,1-bis(diphenylphosphoryl)propan-2-imine has a molecular weight of 457.45 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,1-bis(diphenylphosphoryl)propan-2-imine is sourced from PubChem (CID 10813717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).