dichloromethane;triphenyl(phenylselanyl)phosphanium;iodide

C25H22Cl2IPSe — CID 139183805

IUPACdichloromethane;triphenyl(phenylselanyl)phosphanium;iodide
SMILESClCCl.[I-].c1ccc([Se][P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20PSe.CH2Cl2.HI/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)26-24-19-11-4-12-20-24;2-1-3;/h1-20H;1H2;1H/q+1;;/p-1
InChIKeyDFCAIEDPTJNGRG-UHFFFAOYSA-M
MW630.20 g/mol
LogP2.35
Rot. Bonds5

About dichloromethane;triphenyl(phenylselanyl)phosphanium;iodide

dichloromethane;triphenyl(phenylselanyl)phosphanium;iodide (PubChem CID 139183805) has the molecular formula C25H22Cl2IPSe and a molecular weight of 630.20 g/mol. Its IUPAC name is dichloromethane;triphenyl(phenylselanyl)phosphanium;iodide.

Molecular Properties

Compound Namedichloromethane;triphenyl(phenylselanyl)phosphanium;iodide
PubChem CID139183805
Molecular FormulaC25H22Cl2IPSe
Molecular Weight630.20 g/mol
Exact Mass629.90
IUPAC Namedichloromethane;triphenyl(phenylselanyl)phosphanium;iodide
SMILESClCCl.[I-].c1ccc([Se][P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20PSe.CH2Cl2.HI/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)26-24-19-11-4-12-20-24;2-1-3;/h1-20H;1H2;1H/q+1;;/p-1
InChIKeyDFCAIEDPTJNGRG-UHFFFAOYSA-M
XLogP2.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.20
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-phenylselanylpropanenitrile
CID 13448737
phenylselanylbenzene;dihydrochloride
CID 173104242
phenylselanylbenzene;dihydrochloride
CID 87206847
[chloromethyl(triphenylphosphaniumyl)phosphanyl]-triphenylphosphanium
CID 16699993
chloromethyl(triphenyl)phosphanium;methanolate
CID 18356085
phenyl selenohypochlorite
CID 21928
triethyl(phenyl)phosphanium chloride
CID 21464749
diethyl(diphenyl)phosphanium hydroxide
CID 18407746
3-chloropropyl(triphenyl)phosphanium;gold
CID 71396572
(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butan-1-ol
CID 10597762
benzene;chloroform;dichloromethane
CID 158760544
chloro-ethyl-diphenylphosphanium
CID 15830242

Frequently Asked Questions

What is the IUPAC name of dichloromethane;triphenyl(phenylselanyl)phosphanium;iodide?
The IUPAC name of dichloromethane;triphenyl(phenylselanyl)phosphanium;iodide (CID 139183805) is dichloromethane;triphenyl(phenylselanyl)phosphanium;iodide.
What is the SMILES notation for dichloromethane;triphenyl(phenylselanyl)phosphanium;iodide?
The canonical SMILES for dichloromethane;triphenyl(phenylselanyl)phosphanium;iodide is ClCCl.[I-].c1ccc([Se][P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dichloromethane;triphenyl(phenylselanyl)phosphanium;iodide?
The InChIKey is DFCAIEDPTJNGRG-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H20PSe.CH2Cl2.HI/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)26-24-19-11-4-12-20-24;2-1-3;/h1-20H;1H2;1H/q+1;;/p-1.
What are the key properties of dichloromethane;triphenyl(phenylselanyl)phosphanium;iodide?
dichloromethane;triphenyl(phenylselanyl)phosphanium;iodide has a molecular weight of 630.20 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;triphenyl(phenylselanyl)phosphanium;iodide is sourced from PubChem (CID 139183805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).