(E)-N-diphenylphosphoryl-4-phenylbutan-2-imine

C22H22NOP — CID 135071765

IUPAC(E)-N-diphenylphosphoryl-4-phenylbutan-2-imine
SMILESC/C(CCc1ccccc1)=N\P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NOP/c1-19(17-18-20-11-5-2-6-12-20)23-25(24,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16H,17-18H2,1H3/b23-19+
InChIKeyIQUZOTNGNXOPCD-FCDQGJHFSA-N
MW347.40 g/mol
LogP5.01
Rot. Bonds6

About (E)-N-diphenylphosphoryl-4-phenylbutan-2-imine

(E)-N-diphenylphosphoryl-4-phenylbutan-2-imine (PubChem CID 135071765) has the molecular formula C22H22NOP and a molecular weight of 347.40 g/mol. Its IUPAC name is (E)-N-diphenylphosphoryl-4-phenylbutan-2-imine.

Molecular Properties

Compound Name(E)-N-diphenylphosphoryl-4-phenylbutan-2-imine
PubChem CID135071765
Molecular FormulaC22H22NOP
Molecular Weight347.40 g/mol
Exact Mass347.14
IUPAC Name(E)-N-diphenylphosphoryl-4-phenylbutan-2-imine
SMILESC/C(CCc1ccccc1)=N\P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NOP/c1-19(17-18-20-11-5-2-6-12-20)23-25(24,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16H,17-18H2,1H3/b23-19+
InChIKeyIQUZOTNGNXOPCD-FCDQGJHFSA-N
XLogP5.01
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.40
LogP ≤ 55.01
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

Tris(4-methylphenyl)phosphine oxide
CID 120383
Mls003115741
CID 326943
Tri-o-tolylphosphine oxide
CID 326944
P,P-Diphenyl-N-(phenylmethylene)phosphinic amide
CID 608413
(4-Methylphenyl)(oxo)diphenyl-lambda~5~-phosphane
CID 12550549
(E)-N-diphenylphosphoryloxy-1-(2-fluorophenyl)ethanimine
CID 153522001
N-(diphenylphosphinyl)acetophenoneimine
CID 85073507
1-(Diphenylphosphoroso)-3-methylbenzene
CID 300120
(E)-N-Benzylidene-P,P-diphenylphosphinic amide
CID 9603698
(E)-N-diphenylphosphoryl-1-phenylethanimine
CID 9944887
Tris(3-tolyl)phosphine oxide
CID 10969251
(2-Methylphenyl)(oxo)diphenyl-lambda~5~-phosphane
CID 12550550

Frequently Asked Questions

What is the IUPAC name of (E)-N-diphenylphosphoryl-4-phenylbutan-2-imine?
The IUPAC name of (E)-N-diphenylphosphoryl-4-phenylbutan-2-imine (CID 135071765) is (E)-N-diphenylphosphoryl-4-phenylbutan-2-imine.
What is the SMILES notation for (E)-N-diphenylphosphoryl-4-phenylbutan-2-imine?
The canonical SMILES for (E)-N-diphenylphosphoryl-4-phenylbutan-2-imine is C/C(CCc1ccccc1)=N\P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-diphenylphosphoryl-4-phenylbutan-2-imine?
The InChIKey is IQUZOTNGNXOPCD-FCDQGJHFSA-N. The full InChI is InChI=1S/C22H22NOP/c1-19(17-18-20-11-5-2-6-12-20)23-25(24,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16H,17-18H2,1H3/b23-19+.
What are the key properties of (E)-N-diphenylphosphoryl-4-phenylbutan-2-imine?
(E)-N-diphenylphosphoryl-4-phenylbutan-2-imine has a molecular weight of 347.40 g/mol, XLogP of 5.01, 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-phenylbutan-2-imine is sourced from PubChem (CID 135071765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).