triphenyl(2-phenyliminopropyl)phosphanium

C27H25NP+ — CID 23415425

IUPACtriphenyl(2-phenyliminopropyl)phosphanium
SMILESC/C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=N\c1ccccc1
InChIInChI=1S/C27H25NP/c1-23(28-24-14-6-2-7-15-24)22-29(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21H,22H2,1H3/q+1/b28-23+
InChIKeyWEJGZTPDFYRGNK-WEMUOSSPSA-N
MW394.48 g/mol
LogP5.77
Rot. Bonds6

About triphenyl(2-phenyliminopropyl)phosphanium

triphenyl(2-phenyliminopropyl)phosphanium (PubChem CID 23415425) has the molecular formula C27H25NP+ and a molecular weight of 394.48 g/mol. Its IUPAC name is triphenyl(2-phenyliminopropyl)phosphanium.

Molecular Properties

Compound Nametriphenyl(2-phenyliminopropyl)phosphanium
PubChem CID23415425
Molecular FormulaC27H25NP+
Molecular Weight394.48 g/mol
Exact Mass394.17
IUPAC Nametriphenyl(2-phenyliminopropyl)phosphanium
SMILESC/C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=N\c1ccccc1
InChIInChI=1S/C27H25NP/c1-23(28-24-14-6-2-7-15-24)22-29(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21H,22H2,1H3/q+1/b28-23+
InChIKeyWEJGZTPDFYRGNK-WEMUOSSPSA-N
XLogP5.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.77
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

2-hydroxyprop-2-enyl(triphenyl)phosphanium
CID 87987805
N-phenyl-1-[phenyl-bis(trimethylsilyl)phosphaniumyl]methanimidothioate
CID 23418598
[(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide
CID 126958888
[(2E)-2-[(E)-[(4-chlorophenyl)-phenylmethylidene]hydrazinylidene]propyl]-triphenylphosphanium
CID 99078907
[(2E)-2-[bis(4-chlorophenyl)methylidenehydrazinylidene]propyl]-triphenylphosphanium;hydrobromide
CID 126959618
(3,3-dicyano-2-methylprop-2-enyl)-triphenylphosphanium
CID 139734338
4-N-(4-chlorophenyl)-2-N-phenylpentane-2,4-diimine
CID 126613651
[(2E)-2-[[(4-chlorophenyl)-phenylmethylidene]hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide
CID 126958934
2-N,3-N-diphenylbutane-2,3-diimine;dihydrochloride
CID 172723144
tris(carboxymethyl(triphenyl)phosphanium);ruthenium
CID 154640778
(2-oxo-3-triphenylphosphaniumylpropyl)-triphenylphosphanium;dihydrobromide
CID 126957206
2,4-dimethyl-N-phenylpentan-3-imine
CID 14316363

Frequently Asked Questions

What is the IUPAC name of triphenyl(2-phenyliminopropyl)phosphanium?
The IUPAC name of triphenyl(2-phenyliminopropyl)phosphanium (CID 23415425) is triphenyl(2-phenyliminopropyl)phosphanium.
What is the SMILES notation for triphenyl(2-phenyliminopropyl)phosphanium?
The canonical SMILES for triphenyl(2-phenyliminopropyl)phosphanium is C/C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=N\c1ccccc1.
What is the InChIKey of triphenyl(2-phenyliminopropyl)phosphanium?
The InChIKey is WEJGZTPDFYRGNK-WEMUOSSPSA-N. The full InChI is InChI=1S/C27H25NP/c1-23(28-24-14-6-2-7-15-24)22-29(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21H,22H2,1H3/q+1/b28-23+.
What are the key properties of triphenyl(2-phenyliminopropyl)phosphanium?
triphenyl(2-phenyliminopropyl)phosphanium has a molecular weight of 394.48 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(2-phenyliminopropyl)phosphanium is sourced from PubChem (CID 23415425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).