[(E)-2-(methylamino)-1-phenylprop-1-enyl]-triphenylphosphanium

C28H27NP+ — CID 10392962

IUPAC[(E)-2-(methylamino)-1-phenylprop-1-enyl]-triphenylphosphanium
SMILESCN/C(C)=C(\c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H27NP/c1-23(29-2)28(24-15-7-3-8-16-24)30(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-22,29H,1-2H3/q+1/b28-23+
InChIKeyWVBZKTUTGCUYAA-WEMUOSSPSA-N
MW408.51 g/mol
LogP5.59
Rot. Bonds6

About [(E)-2-(methylamino)-1-phenylprop-1-enyl]-triphenylphosphanium

[(E)-2-(methylamino)-1-phenylprop-1-enyl]-triphenylphosphanium (PubChem CID 10392962) has the molecular formula C28H27NP+ and a molecular weight of 408.51 g/mol. Its IUPAC name is [(E)-2-(methylamino)-1-phenylprop-1-enyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(E)-2-(methylamino)-1-phenylprop-1-enyl]-triphenylphosphanium
PubChem CID10392962
Molecular FormulaC28H27NP+
Molecular Weight408.51 g/mol
Exact Mass408.19
IUPAC Name[(E)-2-(methylamino)-1-phenylprop-1-enyl]-triphenylphosphanium
SMILESCN/C(C)=C(\c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H27NP/c1-23(29-2)28(24-15-7-3-8-16-24)30(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-22,29H,1-2H3/q+1/b28-23+
InChIKeyWVBZKTUTGCUYAA-WEMUOSSPSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-N-methyl-1-phenylprop-1-ene-1,2-diamine
CID 145093299
[(Z)-2-ethylsulfanyl-2-methylsulfanyl-1-phenylethenyl]-triphenylphosphanium
CID 54610989
triphenyl(prop-1-en-2-yl)phosphanium bromide
CID 57358625
triphenyl(1-sulfanylidenephosphaniumylideneethyl)phosphanium
CID 177432814
CID 66812751
CID 66812751
N-methylbenzamide
CID 11954
[(Z)-2-methoxy-1-methylselanyl-2-phenylethenyl]-triphenylphosphanium
CID 23267115
[(Z)-2-deuterio-3-oxo-1-phenylbut-1-enyl]-triphenylphosphanium
CID 23413319
[(Z)-2-benzamido-3-oxo-1,4-diphenylbut-1-enyl]-triphenylphosphanium iodide
CID 158474172
[2-benzamido-3-(benzylamino)-3-oxo-1-phenylprop-1-enyl]-triphenylphosphanium
CID 4594682
ethane;N-methylbenzamide;2-methylpropane
CID 161462553
[(Z)-2-benzamido-3-(4-methylanilino)-3-oxo-1-phenylprop-1-enyl]-triphenylphosphanium perchlorate
CID 45048502

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(methylamino)-1-phenylprop-1-enyl]-triphenylphosphanium?
The IUPAC name of [(E)-2-(methylamino)-1-phenylprop-1-enyl]-triphenylphosphanium (CID 10392962) is [(E)-2-(methylamino)-1-phenylprop-1-enyl]-triphenylphosphanium.
What is the SMILES notation for [(E)-2-(methylamino)-1-phenylprop-1-enyl]-triphenylphosphanium?
The canonical SMILES for [(E)-2-(methylamino)-1-phenylprop-1-enyl]-triphenylphosphanium is CN/C(C)=C(\c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-2-(methylamino)-1-phenylprop-1-enyl]-triphenylphosphanium?
The InChIKey is WVBZKTUTGCUYAA-WEMUOSSPSA-N. The full InChI is InChI=1S/C28H27NP/c1-23(29-2)28(24-15-7-3-8-16-24)30(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-22,29H,1-2H3/q+1/b28-23+.
What are the key properties of [(E)-2-(methylamino)-1-phenylprop-1-enyl]-triphenylphosphanium?
[(E)-2-(methylamino)-1-phenylprop-1-enyl]-triphenylphosphanium has a molecular weight of 408.51 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(methylamino)-1-phenylprop-1-enyl]-triphenylphosphanium is sourced from PubChem (CID 10392962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).