3-iminoprop-2-enyl(triphenyl)phosphanium

C21H19NP+ — CID 139243695

IUPAC3-iminoprop-2-enyl(triphenyl)phosphanium
SMILESN=C=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NP/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-16,22H,18H2/q+1
InChIKeyZSTDISROBCKTTP-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.79
Rot. Bonds5

About 3-iminoprop-2-enyl(triphenyl)phosphanium

3-iminoprop-2-enyl(triphenyl)phosphanium (PubChem CID 139243695) has the molecular formula C21H19NP+ and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-iminoprop-2-enyl(triphenyl)phosphanium.

Molecular Properties

Compound Name3-iminoprop-2-enyl(triphenyl)phosphanium
PubChem CID139243695
Molecular FormulaC21H19NP+
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name3-iminoprop-2-enyl(triphenyl)phosphanium
SMILESN=C=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NP/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-16,22H,18H2/q+1
InChIKeyZSTDISROBCKTTP-UHFFFAOYSA-N
XLogP3.79
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-iminoprop-2-enyl(triphenyl)phosphanium?
The IUPAC name of 3-iminoprop-2-enyl(triphenyl)phosphanium (CID 139243695) is 3-iminoprop-2-enyl(triphenyl)phosphanium.
What is the SMILES notation for 3-iminoprop-2-enyl(triphenyl)phosphanium?
The canonical SMILES for 3-iminoprop-2-enyl(triphenyl)phosphanium is N=C=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-iminoprop-2-enyl(triphenyl)phosphanium?
The InChIKey is ZSTDISROBCKTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NP/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-16,22H,18H2/q+1.
What are the key properties of 3-iminoprop-2-enyl(triphenyl)phosphanium?
3-iminoprop-2-enyl(triphenyl)phosphanium has a molecular weight of 316.36 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminoprop-2-enyl(triphenyl)phosphanium is sourced from PubChem (CID 139243695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).