hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methoxy-4-phenylpyridin-1-ium)

C144H144F6N12O30P6 — CID 173487329

IUPAChexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methoxy-4-phenylpyridin-1-ium)
SMILESCO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F
InChIInChI=1S/12C12H12NO.6FH2O3P/c12*1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;6*1-5(2,3)4/h12*2-10H,1H3;6*(H2,2,3,4)/q12*+1;;;;;;/p-12
InChIKeyAIXZRXLIAARJBK-UHFFFAOYSA-B
MW2822.62 g/mol
LogP13.10
Rot. Bonds24

About hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methoxy-4-phenylpyridin-1-ium)

hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methoxy-4-phenylpyridin-1-ium) (PubChem CID 173487329) has the molecular formula C144H144F6N12O30P6 and a molecular weight of 2822.62 g/mol. Its IUPAC name is hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methoxy-4-phenylpyridin-1-ium).

Molecular Properties

Compound Namehexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methoxy-4-phenylpyridin-1-ium)
PubChem CID173487329
Molecular FormulaC144H144F6N12O30P6
Molecular Weight2822.62 g/mol
Exact Mass2820.84
IUPAC Namehexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methoxy-4-phenylpyridin-1-ium)
SMILESCO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F
InChIInChI=1S/12C12H12NO.6FH2O3P/c12*1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;6*1-5(2,3)4/h12*2-10H,1H3;6*(H2,2,3,4)/q12*+1;;;;;;/p-12
InChIKeyAIXZRXLIAARJBK-UHFFFAOYSA-B
XLogP13.10
TPSA536.46 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002822.62
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methoxy-4-phenylpyridin-1-ium) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methoxy-4-phenylpyridin-1-ium)?
The IUPAC name of hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methoxy-4-phenylpyridin-1-ium) (CID 173487329) is hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methoxy-4-phenylpyridin-1-ium).
What is the SMILES notation for hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methoxy-4-phenylpyridin-1-ium)?
The canonical SMILES for hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methoxy-4-phenylpyridin-1-ium) is CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.
What is the InChIKey of hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methoxy-4-phenylpyridin-1-ium)?
The InChIKey is AIXZRXLIAARJBK-UHFFFAOYSA-B. The full InChI is InChI=1S/12C12H12NO.6FH2O3P/c12*1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;6*1-5(2,3)4/h12*2-10H,1H3;6*(H2,2,3,4)/q12*+1;;;;;;/p-12.
What are the key properties of hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methoxy-4-phenylpyridin-1-ium)?
hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methoxy-4-phenylpyridin-1-ium) has a molecular weight of 2822.62 g/mol, XLogP of 13.10, 24 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methoxy-4-phenylpyridin-1-ium) is sourced from PubChem (CID 173487329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).