CID 173352453

C144H150F6N12O18Sb6 — CID 173352453

IUPAC—
SMILESF.F.F.F.F.F.O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1
InChIInChI=1S/12C12H12N.6FH.18O.6Sb/c12*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h12*1-10H,11H2;6*1H;;;;;;;;;;;;;;;;;;;;;;;;/q12*+1;;;;;;;;;;;;;12*-1;;;;;;
InChIKeyJMUYEXBMRSXVMM-UHFFFAOYSA-N
MW3181.40 g/mol
LogP7.92
Rot. Bonds24

About CID 173352453

CID 173352453 (PubChem CID 173352453) has the molecular formula C144H150F6N12O18Sb6 and a molecular weight of 3181.40 g/mol.

Molecular Properties

Compound NameCID 173352453
PubChem CID173352453
Molecular FormulaC144H150F6N12O18Sb6
Molecular Weight3181.40 g/mol
Exact Mass3174.53
IUPAC Name—
SMILESF.F.F.F.F.F.O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1
InChIInChI=1S/12C12H12N.6FH.18O.6Sb/c12*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h12*1-10H,11H2;6*1H;;;;;;;;;;;;;;;;;;;;;;;;/q12*+1;;;;;;;;;;;;;12*-1;;;;;;
InChIKeyJMUYEXBMRSXVMM-UHFFFAOYSA-N
XLogP7.92
TPSA425.70 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003181.40
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173352453?
The IUPAC name of CID 173352453 (CID 173352453) is not available.
What is the SMILES notation for CID 173352453?
The canonical SMILES for CID 173352453 is F.F.F.F.F.F.O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.
What is the InChIKey of CID 173352453?
The InChIKey is JMUYEXBMRSXVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/12C12H12N.6FH.18O.6Sb/c12*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h12*1-10H,11H2;6*1H;;;;;;;;;;;;;;;;;;;;;;;;/q12*+1;;;;;;;;;;;;;12*-1;;;;;;.
What are the key properties of CID 173352453?
CID 173352453 has a molecular weight of 3181.40 g/mol, XLogP of 7.92, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173352453 is sourced from PubChem (CID 173352453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).