(E)-N-diphenylphosphoryl-4-phenylbut-3-en-1-imine

C22H20NOP — CID 68513071

IUPAC(E)-N-diphenylphosphoryl-4-phenylbut-3-en-1-imine
SMILESO=P(N=CC/C=C/c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20NOP/c24-25(21-15-6-2-7-16-21,22-17-8-3-9-18-22)23-19-11-10-14-20-12-4-1-5-13-20/h1-10,12-19H,11H2/b14-10+,23-19?
InChIKeyDQPSLAGUTOVNFO-YLKBQPAQSA-N
MW345.38 g/mol
LogP5.09
Rot. Bonds6

About (E)-N-diphenylphosphoryl-4-phenylbut-3-en-1-imine

(E)-N-diphenylphosphoryl-4-phenylbut-3-en-1-imine (PubChem CID 68513071) has the molecular formula C22H20NOP and a molecular weight of 345.38 g/mol. Its IUPAC name is (E)-N-diphenylphosphoryl-4-phenylbut-3-en-1-imine.

Molecular Properties

Compound Name(E)-N-diphenylphosphoryl-4-phenylbut-3-en-1-imine
PubChem CID68513071
Molecular FormulaC22H20NOP
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name(E)-N-diphenylphosphoryl-4-phenylbut-3-en-1-imine
SMILESO=P(N=CC/C=C/c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20NOP/c24-25(21-15-6-2-7-16-21,22-17-8-3-9-18-22)23-19-11-10-14-20-12-4-1-5-13-20/h1-10,12-19H,11H2/b14-10+,23-19?
InChIKeyDQPSLAGUTOVNFO-YLKBQPAQSA-N
XLogP5.09
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.38
LogP ≤ 55.09
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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Related Compounds

[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
N-diphenylphosphoryl-4-methylpentan-1-imine
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(E)-N-diphenylphosphorylheptan-1-imine
CID 134884295
(E)-N-benzyl-4-phenylbut-3-en-1-imine
CID 101087207
(E)-N-diphenylphosphoryl-1-(3-methylphenyl)methanimine
CID 11267150
(E)-N-diphenylphosphoryl-1-(4-fluorophenyl)methanimine
CID 11313306
(E)-N-diphenylphosphoryl-1-naphthalen-1-ylmethanimine
CID 11382689
trifluoro-[(E)-3-phenylprop-2-enyl]boranuide
CID 101487088
[(1E,4E)-hexa-1,4-dienyl]benzene
CID 13068859
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
benzene;but-1-enylbenzene
CID 157481332
CID 140512150
CID 140512150

Frequently Asked Questions

What is the IUPAC name of (E)-N-diphenylphosphoryl-4-phenylbut-3-en-1-imine?
The IUPAC name of (E)-N-diphenylphosphoryl-4-phenylbut-3-en-1-imine (CID 68513071) is (E)-N-diphenylphosphoryl-4-phenylbut-3-en-1-imine.
What is the SMILES notation for (E)-N-diphenylphosphoryl-4-phenylbut-3-en-1-imine?
The canonical SMILES for (E)-N-diphenylphosphoryl-4-phenylbut-3-en-1-imine is O=P(N=CC/C=C/c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-diphenylphosphoryl-4-phenylbut-3-en-1-imine?
The InChIKey is DQPSLAGUTOVNFO-YLKBQPAQSA-N. The full InChI is InChI=1S/C22H20NOP/c24-25(21-15-6-2-7-16-21,22-17-8-3-9-18-22)23-19-11-10-14-20-12-4-1-5-13-20/h1-10,12-19H,11H2/b14-10+,23-19?.
What are the key properties of (E)-N-diphenylphosphoryl-4-phenylbut-3-en-1-imine?
(E)-N-diphenylphosphoryl-4-phenylbut-3-en-1-imine has a molecular weight of 345.38 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-diphenylphosphoryl-4-phenylbut-3-en-1-imine is sourced from PubChem (CID 68513071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).