Iron, dicarbonyl(eta(5)-2,4-cyclopentadien-1-yl)(triphenylstannyl)-

C25H20FeO2Sn+4 — CID 11987463

IUPAC—
SMILES[C-]#[O+].[C-]#[O+].[Fe+5].c1cc[cH-]c1.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.C5H5.2CO.Fe.Sn/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-2;;/h3*1-5H;1-5H;;;;/q;;;-1;;;+5;
InChIKeyOEQKVPMIIUOZRW-UHFFFAOYSA-N
MW526.99 g/mol
LogP3.53
Rot. Bonds3

About Iron, dicarbonyl(eta(5)-2,4-cyclopentadien-1-yl)(triphenylstannyl)-

Iron, dicarbonyl(eta(5)-2,4-cyclopentadien-1-yl)(triphenylstannyl)- (PubChem CID 11987463) has the molecular formula C25H20FeO2Sn+4 and a molecular weight of 526.99 g/mol.

Molecular Properties

Compound NameIron, dicarbonyl(eta(5)-2,4-cyclopentadien-1-yl)(triphenylstannyl)-
PubChem CID11987463
Molecular FormulaC25H20FeO2Sn+4
Molecular Weight526.99 g/mol
Exact Mass527.98
IUPAC Name—
SMILES[C-]#[O+].[C-]#[O+].[Fe+5].c1cc[cH-]c1.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.C5H5.2CO.Fe.Sn/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-2;;/h3*1-5H;1-5H;;;;/q;;;-1;;;+5;
InChIKeyOEQKVPMIIUOZRW-UHFFFAOYSA-N
XLogP3.53
TPSA39.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.99
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Iron, dicarbonyl(eta(5)-2,4-cyclopentadien-1-yl)(triphenylstannyl)-?
The IUPAC name of Iron, dicarbonyl(eta(5)-2,4-cyclopentadien-1-yl)(triphenylstannyl)- (CID 11987463) is not available.
What is the SMILES notation for Iron, dicarbonyl(eta(5)-2,4-cyclopentadien-1-yl)(triphenylstannyl)-?
The canonical SMILES for Iron, dicarbonyl(eta(5)-2,4-cyclopentadien-1-yl)(triphenylstannyl)- is [C-]#[O+].[C-]#[O+].[Fe+5].c1cc[cH-]c1.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of Iron, dicarbonyl(eta(5)-2,4-cyclopentadien-1-yl)(triphenylstannyl)-?
The InChIKey is OEQKVPMIIUOZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5.C5H5.2CO.Fe.Sn/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-2;;/h3*1-5H;1-5H;;;;/q;;;-1;;;+5;.
What are the key properties of Iron, dicarbonyl(eta(5)-2,4-cyclopentadien-1-yl)(triphenylstannyl)-?
Iron, dicarbonyl(eta(5)-2,4-cyclopentadien-1-yl)(triphenylstannyl)- has a molecular weight of 526.99 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Iron, dicarbonyl(eta(5)-2,4-cyclopentadien-1-yl)(triphenylstannyl)- is sourced from PubChem (CID 11987463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).