bis(cyclopenta-1,3-diene);di(cyclopenta-2,4-dien-1-yl)mercury;bis(iron(2+))

C20H18Fe2Hg — CID 15959857

IUPACbis(cyclopenta-1,3-diene);di(cyclopenta-2,4-dien-1-yl)mercury;bis(iron(2+))
SMILES[Fe+2].[Fe+2].c1cc[c-]([Hg][c-]2cccc2)c1.c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.2C5H4.2Fe.Hg/c4*1-2-4-5-3-1;;;/h2*1-5H;2*1-4H;;;/q4*-1;2*+2;
InChIKeyGFQPYHDIPPAKTO-UHFFFAOYSA-N
MW570.64 g/mol
LogP3.96
Rot. Bonds2

About bis(cyclopenta-1,3-diene);di(cyclopenta-2,4-dien-1-yl)mercury;bis(iron(2+))

bis(cyclopenta-1,3-diene);di(cyclopenta-2,4-dien-1-yl)mercury;bis(iron(2+)) (PubChem CID 15959857) has the molecular formula C20H18Fe2Hg and a molecular weight of 570.64 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);di(cyclopenta-2,4-dien-1-yl)mercury;bis(iron(2+)).

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);di(cyclopenta-2,4-dien-1-yl)mercury;bis(iron(2+))
PubChem CID15959857
Molecular FormulaC20H18Fe2Hg
Molecular Weight570.64 g/mol
Exact Mass571.98
IUPAC Namebis(cyclopenta-1,3-diene);di(cyclopenta-2,4-dien-1-yl)mercury;bis(iron(2+))
SMILES[Fe+2].[Fe+2].c1cc[c-]([Hg][c-]2cccc2)c1.c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.2C5H4.2Fe.Hg/c4*1-2-4-5-3-1;;;/h2*1-5H;2*1-4H;;;/q4*-1;2*+2;
InChIKeyGFQPYHDIPPAKTO-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.64
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Tris(cyclopentadienyl)lanthanum
CID 73962
Tris(eta5-cyclopenta-2,4-dien-1-yl)terbium
CID 102088
Tris(eta5-2,4-cyclopentadien-1-yl)neodymium
CID 102089
Tris(eta5-2,4-cyclopentadien-1-yl)yttrium
CID 102095
Tris(cyclopentadienyl)ytterbium(III)
CID 102096
Tris(eta5-cyclopenta-2,4-dien-1-yl)scandium
CID 102098
Tris(cyclopentadienyl)samarium
CID 102099
Titanium(4+) chloride oxide cyclopenta-2,4-dien-1-ide (2/2/1/4)
CID 202575
Titanium(4+) chloride oxide cyclopenta-2,4-dien-1-ide (1/1/1/1)
CID 202576
Niobium(5+) chloride oxide cyclopenta-2,4-dien-1-ide (2/4/1/4)
CID 3033520
Tris(eta5-2,4-cyclopentadien-1-yl)thulium
CID 79162
Tris(eta5-2,4-cyclopentadien-1-yl)praseodymium
CID 82769

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);di(cyclopenta-2,4-dien-1-yl)mercury;bis(iron(2+))?
The IUPAC name of bis(cyclopenta-1,3-diene);di(cyclopenta-2,4-dien-1-yl)mercury;bis(iron(2+)) (CID 15959857) is bis(cyclopenta-1,3-diene);di(cyclopenta-2,4-dien-1-yl)mercury;bis(iron(2+)).
What is the SMILES notation for bis(cyclopenta-1,3-diene);di(cyclopenta-2,4-dien-1-yl)mercury;bis(iron(2+))?
The canonical SMILES for bis(cyclopenta-1,3-diene);di(cyclopenta-2,4-dien-1-yl)mercury;bis(iron(2+)) is [Fe+2].[Fe+2].c1cc[c-]([Hg][c-]2cccc2)c1.c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of bis(cyclopenta-1,3-diene);di(cyclopenta-2,4-dien-1-yl)mercury;bis(iron(2+))?
The InChIKey is GFQPYHDIPPAKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.2C5H4.2Fe.Hg/c4*1-2-4-5-3-1;;;/h2*1-5H;2*1-4H;;;/q4*-1;2*+2;.
What are the key properties of bis(cyclopenta-1,3-diene);di(cyclopenta-2,4-dien-1-yl)mercury;bis(iron(2+))?
bis(cyclopenta-1,3-diene);di(cyclopenta-2,4-dien-1-yl)mercury;bis(iron(2+)) has a molecular weight of 570.64 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);di(cyclopenta-2,4-dien-1-yl)mercury;bis(iron(2+)) is sourced from PubChem (CID 15959857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).