(E,E)-N-diphenylphosphoryl-4-(4-methylphenyl)but-3-en-2-imine

C23H22NOP — CID 10666173

IUPAC(E,E)-N-diphenylphosphoryl-4-(4-methylphenyl)but-3-en-2-imine
SMILESCC(/C=C/c1ccc(C)cc1)=N\P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22NOP/c1-19-13-16-21(17-14-19)18-15-20(2)24-26(25,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-18H,1-2H3/b18-15+,24-20+
InChIKeyIHHIQJKDFRBTNZ-HKRBAAFQSA-N
MW359.41 g/mol
LogP5.40
Rot. Bonds5

About (E,E)-N-diphenylphosphoryl-4-(4-methylphenyl)but-3-en-2-imine

(E,E)-N-diphenylphosphoryl-4-(4-methylphenyl)but-3-en-2-imine (PubChem CID 10666173) has the molecular formula C23H22NOP and a molecular weight of 359.41 g/mol. Its IUPAC name is (E,E)-N-diphenylphosphoryl-4-(4-methylphenyl)but-3-en-2-imine.

Molecular Properties

Compound Name(E,E)-N-diphenylphosphoryl-4-(4-methylphenyl)but-3-en-2-imine
PubChem CID10666173
Molecular FormulaC23H22NOP
Molecular Weight359.41 g/mol
Exact Mass359.14
IUPAC Name(E,E)-N-diphenylphosphoryl-4-(4-methylphenyl)but-3-en-2-imine
SMILESCC(/C=C/c1ccc(C)cc1)=N\P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22NOP/c1-19-13-16-21(17-14-19)18-15-20(2)24-26(25,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-18H,1-2H3/b18-15+,24-20+
InChIKeyIHHIQJKDFRBTNZ-HKRBAAFQSA-N
XLogP5.40
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.41
LogP ≤ 55.40
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,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one
CID 6175900
2-(4-methylanilino)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]propanamide
CID 11838215
(2R)-2-(4-methylanilino)-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]propanamide
CID 129440267
(E)-3-(4-methylphenyl)prop-2-enoic acid
CID 731767
(E)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531836
(NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine
CID 6738838
N-methyl-4-phenylbut-3-en-2-imine
CID 15325561
(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531835
1-[(1E,3E)-4-diphenylphosphoryl-4-(4-methylphenyl)buta-1,3-dienyl]-4-methylbenzene
CID 11532149
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
phenylphosphonic acid;toluene
CID 174457204
triphenyl-[(E)-4-phenylbut-3-en-2-ylidene]-lambda5-phosphane
CID 12872259

Frequently Asked Questions

What is the IUPAC name of (E,E)-N-diphenylphosphoryl-4-(4-methylphenyl)but-3-en-2-imine?
The IUPAC name of (E,E)-N-diphenylphosphoryl-4-(4-methylphenyl)but-3-en-2-imine (CID 10666173) is (E,E)-N-diphenylphosphoryl-4-(4-methylphenyl)but-3-en-2-imine.
What is the SMILES notation for (E,E)-N-diphenylphosphoryl-4-(4-methylphenyl)but-3-en-2-imine?
The canonical SMILES for (E,E)-N-diphenylphosphoryl-4-(4-methylphenyl)but-3-en-2-imine is CC(/C=C/c1ccc(C)cc1)=N\P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E,E)-N-diphenylphosphoryl-4-(4-methylphenyl)but-3-en-2-imine?
The InChIKey is IHHIQJKDFRBTNZ-HKRBAAFQSA-N. The full InChI is InChI=1S/C23H22NOP/c1-19-13-16-21(17-14-19)18-15-20(2)24-26(25,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-18H,1-2H3/b18-15+,24-20+.
What are the key properties of (E,E)-N-diphenylphosphoryl-4-(4-methylphenyl)but-3-en-2-imine?
(E,E)-N-diphenylphosphoryl-4-(4-methylphenyl)but-3-en-2-imine has a molecular weight of 359.41 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,E)-N-diphenylphosphoryl-4-(4-methylphenyl)but-3-en-2-imine is sourced from PubChem (CID 10666173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).