benzyl(triphenyl)phosphanium;manganese(2+);dichloride

C25H22Cl2MnP+ — CID 175569574

IUPACbenzyl(triphenyl)phosphanium;manganese(2+);dichloride
SMILES[Cl-].[Cl-].[Mn+2].c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P.2ClH.Mn/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;;;/h1-20H,21H2;2*1H;/q+1;;;+2/p-2
InChIKeyKAZHOAYGDQDYSO-UHFFFAOYSA-L
MW479.27 g/mol
LogP-0.81
Rot. Bonds5

About benzyl(triphenyl)phosphanium;manganese(2+);dichloride

benzyl(triphenyl)phosphanium;manganese(2+);dichloride (PubChem CID 175569574) has the molecular formula C25H22Cl2MnP+ and a molecular weight of 479.27 g/mol. Its IUPAC name is benzyl(triphenyl)phosphanium;manganese(2+);dichloride.

Molecular Properties

Compound Namebenzyl(triphenyl)phosphanium;manganese(2+);dichloride
PubChem CID175569574
Molecular FormulaC25H22Cl2MnP+
Molecular Weight479.27 g/mol
Exact Mass478.02
IUPAC Namebenzyl(triphenyl)phosphanium;manganese(2+);dichloride
SMILES[Cl-].[Cl-].[Mn+2].c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P.2ClH.Mn/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;;;/h1-20H,21H2;2*1H;/q+1;;;+2/p-2
InChIKeyKAZHOAYGDQDYSO-UHFFFAOYSA-L
XLogP-0.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.27
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 161237104
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benzyl(triphenyl)phosphanium phenoxide
CID 18469640
benzyl(triphenyl)phosphanium;triphenylphosphane
CID 90751570
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CID 86741343
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CID 91315511
[3-(chloromethyl)phenyl]methyl-triphenylphosphanium chloride
CID 19744545
[4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium
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[4-(2-cyanoethyl)phenyl]methyl-triphenylphosphanium chloride
CID 88504596
[4-(4-phenoxybutoxy)phenyl]methyl-triphenylphosphanium chloride
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Frequently Asked Questions

What is the IUPAC name of benzyl(triphenyl)phosphanium;manganese(2+);dichloride?
The IUPAC name of benzyl(triphenyl)phosphanium;manganese(2+);dichloride (CID 175569574) is benzyl(triphenyl)phosphanium;manganese(2+);dichloride.
What is the SMILES notation for benzyl(triphenyl)phosphanium;manganese(2+);dichloride?
The canonical SMILES for benzyl(triphenyl)phosphanium;manganese(2+);dichloride is [Cl-].[Cl-].[Mn+2].c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzyl(triphenyl)phosphanium;manganese(2+);dichloride?
The InChIKey is KAZHOAYGDQDYSO-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H22P.2ClH.Mn/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;;;/h1-20H,21H2;2*1H;/q+1;;;+2/p-2.
What are the key properties of benzyl(triphenyl)phosphanium;manganese(2+);dichloride?
benzyl(triphenyl)phosphanium;manganese(2+);dichloride has a molecular weight of 479.27 g/mol, XLogP of -0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(triphenyl)phosphanium;manganese(2+);dichloride is sourced from PubChem (CID 175569574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).