hexakis(dimethyl(phenyl)phosphanium);platinum;dihydrate

C48H76O2P6Pt3+6 — CID 6395690

IUPAChexakis(dimethyl(phenyl)phosphanium);platinum;dihydrate
SMILESC[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.O.O.[Pt].[Pt].[Pt]
InChIInChI=1S/6C8H11P.2H2O.3Pt/c6*1-9(2)8-6-4-3-5-7-8;;;;;/h6*3-7H,1-2H3;2*1H2;;;/p+6
InChIKeyHHUSSLBYMBMBHC-UHFFFAOYSA-T
MW1456.21 g/mol
LogP9.06
Rot. Bonds6

About hexakis(dimethyl(phenyl)phosphanium);platinum;dihydrate

hexakis(dimethyl(phenyl)phosphanium);platinum;dihydrate (PubChem CID 6395690) has the molecular formula C48H76O2P6Pt3+6 and a molecular weight of 1456.21 g/mol. Its IUPAC name is hexakis(dimethyl(phenyl)phosphanium);platinum;dihydrate.

Molecular Properties

Compound Namehexakis(dimethyl(phenyl)phosphanium);platinum;dihydrate
PubChem CID6395690
Molecular FormulaC48H76O2P6Pt3+6
Molecular Weight1456.21 g/mol
Exact Mass1455.32
IUPAC Namehexakis(dimethyl(phenyl)phosphanium);platinum;dihydrate
SMILESC[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.O.O.[Pt].[Pt].[Pt]
InChIInChI=1S/6C8H11P.2H2O.3Pt/c6*1-9(2)8-6-4-3-5-7-8;;;;;/h6*3-7H,1-2H3;2*1H2;;;/p+6
InChIKeyHHUSSLBYMBMBHC-UHFFFAOYSA-T
XLogP9.06
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001456.21
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexakis(dimethyl(phenyl)phosphanium);platinum;dihydrate?
The IUPAC name of hexakis(dimethyl(phenyl)phosphanium);platinum;dihydrate (CID 6395690) is hexakis(dimethyl(phenyl)phosphanium);platinum;dihydrate.
What is the SMILES notation for hexakis(dimethyl(phenyl)phosphanium);platinum;dihydrate?
The canonical SMILES for hexakis(dimethyl(phenyl)phosphanium);platinum;dihydrate is C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.O.O.[Pt].[Pt].[Pt].
What is the InChIKey of hexakis(dimethyl(phenyl)phosphanium);platinum;dihydrate?
The InChIKey is HHUSSLBYMBMBHC-UHFFFAOYSA-T. The full InChI is InChI=1S/6C8H11P.2H2O.3Pt/c6*1-9(2)8-6-4-3-5-7-8;;;;;/h6*3-7H,1-2H3;2*1H2;;;/p+6.
What are the key properties of hexakis(dimethyl(phenyl)phosphanium);platinum;dihydrate?
hexakis(dimethyl(phenyl)phosphanium);platinum;dihydrate has a molecular weight of 1456.21 g/mol, XLogP of 9.06, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(dimethyl(phenyl)phosphanium);platinum;dihydrate is sourced from PubChem (CID 6395690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).