carbanide;bis(cyclopenta-1,3-diene);1-ethylcyclopenta-1,3-diene;bis(iron(4+));methane;1-methylcyclopenta-1,3-diene

C29H46Fe2 — CID 158519657

About carbanide;bis(cyclopenta-1,3-diene);1-ethylcyclopenta-1,3-diene;bis(iron(4+));methane;1-methylcyclopenta-1,3-diene

carbanide;bis(cyclopenta-1,3-diene);1-ethylcyclopenta-1,3-diene;bis(iron(4+));methane;1-methylcyclopenta-1,3-diene (PubChem CID 158519657) has the molecular formula C29H46Fe2 and a molecular weight of 506.38 g/mol. Its IUPAC name is carbanide;bis(cyclopenta-1,3-diene);1-ethylcyclopenta-1,3-diene;bis(iron(4+));methane;1-methylcyclopenta-1,3-diene.

Molecular Properties

• Compound Name: carbanide;bis(cyclopenta-1,3-diene);1-ethylcyclopenta-1,3-diene;bis(iron(4+));methane;1-methylcyclopenta-1,3-diene
• PubChem CID: 158519657
• Molecular Formula: C29H46Fe2
• Molecular Weight: 506.38 g/mol
• Exact Mass: 506.23
• IUPAC Name: carbanide;bis(cyclopenta-1,3-diene);1-ethylcyclopenta-1,3-diene;bis(iron(4+));methane;1-methylcyclopenta-1,3-diene
• SMILES: C.C.CCc1ccc[cH-]1.Cc1ccc[cH-]1.[CH3-].[CH3-].[CH3-].[CH3-].[Fe+4].[Fe+4].c1cc[cH-]c1.c1cc[cH-]c1
• InChI: InChI=1S/C7H9.C6H7.2C5H5.2CH4.4CH3.2Fe/c1-2-7-5-3-4-6-7;1-6-4-2-3-5-6;2*1-2-4-5-3-1;;;;;;;;/h3-6H,2H2,1H3;2-5H,1H3;2*1-5H;2*1H4;4*1H3;;/q4*-1;;;4*-1;2*+4
• InChIKey: HMBGDKUGEVIQKO-UHFFFAOYSA-N
• XLogP: 9.56
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.38
LogP ≤ 5	9.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(cyclopenta-1,3-diene);1-ethylcyclopenta-1,3-diene;bis(iron(4+));methane;1-methylcyclopenta-1,3-diene?

The IUPAC name of carbanide;bis(cyclopenta-1,3-diene);1-ethylcyclopenta-1,3-diene;bis(iron(4+));methane;1-methylcyclopenta-1,3-diene (CID 158519657) is carbanide;bis(cyclopenta-1,3-diene);1-ethylcyclopenta-1,3-diene;bis(iron(4+));methane;1-methylcyclopenta-1,3-diene.

What is the SMILES notation for carbanide;bis(cyclopenta-1,3-diene);1-ethylcyclopenta-1,3-diene;bis(iron(4+));methane;1-methylcyclopenta-1,3-diene?

The canonical SMILES for carbanide;bis(cyclopenta-1,3-diene);1-ethylcyclopenta-1,3-diene;bis(iron(4+));methane;1-methylcyclopenta-1,3-diene is C.C.CCc1ccc[cH-]1.Cc1ccc[cH-]1.[CH3-].[CH3-].[CH3-].[CH3-].[Fe+4].[Fe+4].c1cc[cH-]c1.c1cc[cH-]c1.

What is the InChIKey of carbanide;bis(cyclopenta-1,3-diene);1-ethylcyclopenta-1,3-diene;bis(iron(4+));methane;1-methylcyclopenta-1,3-diene?

The InChIKey is HMBGDKUGEVIQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9.C6H7.2C5H5.2CH4.4CH3.2Fe/c1-2-7-5-3-4-6-7;1-6-4-2-3-5-6;2*1-2-4-5-3-1;;;;;;;;/h3-6H,2H2,1H3;2-5H,1H3;2*1-5H;2*1H4;4*1H3;;/q4*-1;;;4*-1;2*+4.

What are the key properties of carbanide;bis(cyclopenta-1,3-diene);1-ethylcyclopenta-1,3-diene;bis(iron(4+));methane;1-methylcyclopenta-1,3-diene?

carbanide;bis(cyclopenta-1,3-diene);1-ethylcyclopenta-1,3-diene;bis(iron(4+));methane;1-methylcyclopenta-1,3-diene has a molecular weight of 506.38 g/mol, XLogP of 9.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;bis(cyclopenta-1,3-diene);1-ethylcyclopenta-1,3-diene;bis(iron(4+));methane;1-methylcyclopenta-1,3-diene is sourced from PubChem (CID 158519657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).