Iron,4-cyclopentadien-1-yl)(triphenylstannyl)-

C25H16FeO2Sn — CID 54693489

IUPAC—
SMILES[C-]#[O+].[C-]#[O+].[Fe+5].[c-]1[c-][c-][cH-][c-]1.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.C5H.2CO.Fe.Sn/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-2;;/h3*1-5H;1H;;;;/q;;;-5;;;+5;
InChIKeyFKDMRYHNABBGTF-UHFFFAOYSA-N
MW522.96 g/mol
LogP2.73
Rot. Bonds3

About Iron,4-cyclopentadien-1-yl)(triphenylstannyl)-

Iron,4-cyclopentadien-1-yl)(triphenylstannyl)- (PubChem CID 54693489) has the molecular formula C25H16FeO2Sn and a molecular weight of 522.96 g/mol.

Molecular Properties

Compound NameIron,4-cyclopentadien-1-yl)(triphenylstannyl)-
PubChem CID54693489
Molecular FormulaC25H16FeO2Sn
Molecular Weight522.96 g/mol
Exact Mass523.95
IUPAC Name—
SMILES[C-]#[O+].[C-]#[O+].[Fe+5].[c-]1[c-][c-][cH-][c-]1.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.C5H.2CO.Fe.Sn/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-2;;/h3*1-5H;1H;;;;/q;;;-5;;;+5;
InChIKeyFKDMRYHNABBGTF-UHFFFAOYSA-N
XLogP2.73
TPSA39.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.96
LogP ≤ 52.73
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,4-cyclopentadien-1-yl)(triphenylstannyl)-?
The IUPAC name of Iron,4-cyclopentadien-1-yl)(triphenylstannyl)- (CID 54693489) is not available.
What is the SMILES notation for Iron,4-cyclopentadien-1-yl)(triphenylstannyl)-?
The canonical SMILES for Iron,4-cyclopentadien-1-yl)(triphenylstannyl)- is [C-]#[O+].[C-]#[O+].[Fe+5].[c-]1[c-][c-][cH-][c-]1.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of Iron,4-cyclopentadien-1-yl)(triphenylstannyl)-?
The InChIKey is FKDMRYHNABBGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5.C5H.2CO.Fe.Sn/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-2;;/h3*1-5H;1H;;;;/q;;;-5;;;+5;.
What are the key properties of Iron,4-cyclopentadien-1-yl)(triphenylstannyl)-?
Iron,4-cyclopentadien-1-yl)(triphenylstannyl)- has a molecular weight of 522.96 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Iron,4-cyclopentadien-1-yl)(triphenylstannyl)- is sourced from PubChem (CID 54693489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).