chloro-diphenyl-(3-phenylprop-2-enyl)phosphanium

C21H19ClP+ — CID 173397693

IUPACchloro-diphenyl-(3-phenylprop-2-enyl)phosphanium
SMILESCl[P+](CC=Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19ClP/c22-23(20-14-6-2-7-15-20,21-16-8-3-9-17-21)18-10-13-19-11-4-1-5-12-19/h1-17H,18H2/q+1
InChIKeyDJZKRNPKXCUYSU-UHFFFAOYSA-N
MW337.81 g/mol
LogP5.52
Rot. Bonds5

About chloro-diphenyl-(3-phenylprop-2-enyl)phosphanium

chloro-diphenyl-(3-phenylprop-2-enyl)phosphanium (PubChem CID 173397693) has the molecular formula C21H19ClP+ and a molecular weight of 337.81 g/mol. Its IUPAC name is chloro-diphenyl-(3-phenylprop-2-enyl)phosphanium.

Molecular Properties

Compound Namechloro-diphenyl-(3-phenylprop-2-enyl)phosphanium
PubChem CID173397693
Molecular FormulaC21H19ClP+
Molecular Weight337.81 g/mol
Exact Mass337.09
IUPAC Namechloro-diphenyl-(3-phenylprop-2-enyl)phosphanium
SMILESCl[P+](CC=Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19ClP/c22-23(20-14-6-2-7-15-20,21-16-8-3-9-17-21)18-10-13-19-11-4-1-5-12-19/h1-17H,18H2/q+1
InChIKeyDJZKRNPKXCUYSU-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.81
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze chloro-diphenyl-(3-phenylprop-2-enyl)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzenesulfonate;chloro-diphenyl-(3-phenylprop-2-enyl)phosphanium
CID 173397692
4-chloropent-1-enylbenzene
CID 66808272
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
trihydroxy(3-phenylprop-2-enyl)phosphanium
CID 70142410
[(E)-1-chloro-4-phenylbut-3-enyl]benzene
CID 13252853
hexafluoroantimony(1-);hydron;triphenyl(3-phenylprop-2-enyl)phosphanium
CID 174648580
CID 154717981
CID 154717981
triphenyl-[(E)-4-phenylbut-3-enyl]phosphanium
CID 15529550
[(E)-3-chloroprop-1-enyl]benzene;hydron
CID 174539817
(E)-1-(4-chlorophenyl)-4-phenylbut-3-en-1-ol
CID 10729956
[(1E,4E)-hexa-1,4-dienyl]benzene
CID 13068859
dichloromethyl(4-phenylbut-3-enyl)silane
CID 131722819

Frequently Asked Questions

What is the IUPAC name of chloro-diphenyl-(3-phenylprop-2-enyl)phosphanium?
The IUPAC name of chloro-diphenyl-(3-phenylprop-2-enyl)phosphanium (CID 173397693) is chloro-diphenyl-(3-phenylprop-2-enyl)phosphanium.
What is the SMILES notation for chloro-diphenyl-(3-phenylprop-2-enyl)phosphanium?
The canonical SMILES for chloro-diphenyl-(3-phenylprop-2-enyl)phosphanium is Cl[P+](CC=Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of chloro-diphenyl-(3-phenylprop-2-enyl)phosphanium?
The InChIKey is DJZKRNPKXCUYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClP/c22-23(20-14-6-2-7-15-20,21-16-8-3-9-17-21)18-10-13-19-11-4-1-5-12-19/h1-17H,18H2/q+1.
What are the key properties of chloro-diphenyl-(3-phenylprop-2-enyl)phosphanium?
chloro-diphenyl-(3-phenylprop-2-enyl)phosphanium has a molecular weight of 337.81 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-diphenyl-(3-phenylprop-2-enyl)phosphanium is sourced from PubChem (CID 173397693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).