bis(cyclopenta-1,3-diene);iron;iron(2+);terephthalic acid;hexafluorophosphate

C26H22F6Fe2O8P- — CID 139126896

IUPACbis(cyclopenta-1,3-diene);iron;iron(2+);terephthalic acid;hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.O=C(O)c1ccc(C(=O)O)cc1.O=C(O)c1ccc(C(=O)O)cc1.[Fe+2].[Fe].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C8H6O4.2C5H5.F6P.2Fe/c2*9-7(10)5-1-2-6(4-3-5)8(11)12;2*1-2-4-5-3-1;1-7(2,3,4,5)6;;/h2*1-4H,(H,9,10)(H,11,12);2*1-5H;;;/q;;3*-1;;+2
InChIKeyFNQGUGQCTXGEPM-UHFFFAOYSA-N
MW719.11 g/mol
LogP8.35
Rot. Bonds4

About bis(cyclopenta-1,3-diene);iron;iron(2+);terephthalic acid;hexafluorophosphate

bis(cyclopenta-1,3-diene);iron;iron(2+);terephthalic acid;hexafluorophosphate (PubChem CID 139126896) has the molecular formula C26H22F6Fe2O8P- and a molecular weight of 719.11 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);iron;iron(2+);terephthalic acid;hexafluorophosphate.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);iron;iron(2+);terephthalic acid;hexafluorophosphate
PubChem CID139126896
Molecular FormulaC26H22F6Fe2O8P-
Molecular Weight719.11 g/mol
Exact Mass718.97
IUPAC Namebis(cyclopenta-1,3-diene);iron;iron(2+);terephthalic acid;hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.O=C(O)c1ccc(C(=O)O)cc1.O=C(O)c1ccc(C(=O)O)cc1.[Fe+2].[Fe].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C8H6O4.2C5H5.F6P.2Fe/c2*9-7(10)5-1-2-6(4-3-5)8(11)12;2*1-2-4-5-3-1;1-7(2,3,4,5)6;;/h2*1-4H,(H,9,10)(H,11,12);2*1-5H;;;/q;;3*-1;;+2
InChIKeyFNQGUGQCTXGEPM-UHFFFAOYSA-N
XLogP8.35
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.11
LogP ≤ 58.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(cyclopenta-1,3-diene);iron;iron(2+);terephthalic acid;hexafluorophosphate with MolForge

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

Launch Full Analysis

Related Compounds

cyclopenta-1,3-diene;iron;hexafluorophosphate
CID 175093533
terephthalic acid
CID 160582437
chromium;terephthalic acid
CID 87187082
terephthalic acid;dihydrofluoride
CID 70485309
bismuthane;terephthalic acid
CID 173299583
oxophosphane;terephthalic acid
CID 175391404
potassium;terephthalic acid;hydroxide
CID 157415014
zinc;oxygen(2-);terephthalic acid
CID 68542267
silver;terephthalic acid;zinc
CID 88512761
ethene;terephthalic acid
CID 18755810
cobalt;nickel;terephthalic acid
CID 175016500
cyclopenta-1,3-diene;3-cyclopenta-1,4-dien-1-ylbenzoic acid;iron(2+)
CID 50918245

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);iron;iron(2+);terephthalic acid;hexafluorophosphate?
The IUPAC name of bis(cyclopenta-1,3-diene);iron;iron(2+);terephthalic acid;hexafluorophosphate (CID 139126896) is bis(cyclopenta-1,3-diene);iron;iron(2+);terephthalic acid;hexafluorophosphate.
What is the SMILES notation for bis(cyclopenta-1,3-diene);iron;iron(2+);terephthalic acid;hexafluorophosphate?
The canonical SMILES for bis(cyclopenta-1,3-diene);iron;iron(2+);terephthalic acid;hexafluorophosphate is F[P-](F)(F)(F)(F)F.O=C(O)c1ccc(C(=O)O)cc1.O=C(O)c1ccc(C(=O)O)cc1.[Fe+2].[Fe].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of bis(cyclopenta-1,3-diene);iron;iron(2+);terephthalic acid;hexafluorophosphate?
The InChIKey is FNQGUGQCTXGEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H6O4.2C5H5.F6P.2Fe/c2*9-7(10)5-1-2-6(4-3-5)8(11)12;2*1-2-4-5-3-1;1-7(2,3,4,5)6;;/h2*1-4H,(H,9,10)(H,11,12);2*1-5H;;;/q;;3*-1;;+2.
What are the key properties of bis(cyclopenta-1,3-diene);iron;iron(2+);terephthalic acid;hexafluorophosphate?
bis(cyclopenta-1,3-diene);iron;iron(2+);terephthalic acid;hexafluorophosphate has a molecular weight of 719.11 g/mol, XLogP of 8.35, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);iron;iron(2+);terephthalic acid;hexafluorophosphate is sourced from PubChem (CID 139126896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).