CID 11520809

C₄₆H₅₂Cl₂FeP₂Pd+2 — CID 11520809

About CID 11520809

CID 11520809 (PubChem CID 11520809) has the molecular formula C₄₆H₅₂Cl₂FeP₂Pd+2 and a molecular weight of 900.04 g/mol.

Molecular Properties

• Compound Name: CID 11520809
• PubChem CID: 11520809
• Molecular Formula: C₄₆H₅₂Cl₂FeP₂Pd+2
• Molecular Weight: 900.04 g/mol
• Exact Mass: 898.13
• IUPAC Name: —
• SMILES: CC(C)c1ccccc1P([C]1[CH][CH][CH][CH]1)c1ccccc1C(C)C.CC(C)c1ccccc1P([C]1[CH][CH][CH][CH]1)c1ccccc1C(C)C.Cl[Pd]Cl.[Fe+2]
• InChI: InChI=1S/2C23H26P.2ClH.Fe.Pd/c2*1-17(2)20-13-7-9-15-22(20)24(19-11-5-6-12-19)23-16-10-8-14-21(23)18(3)4;;;;/h2*5-18H,1-4H3;2*1H;;/q;;;;2*+2/p-2
• InChIKey: CLCHUZUSCWXKMN-UHFFFAOYSA-L
• XLogP: 12.83
• TPSA: 0.00 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	900.04
LogP ≤ 5	12.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 11520809?

The IUPAC name of CID 11520809 (CID 11520809) is not available.

What is the SMILES notation for CID 11520809?

The canonical SMILES for CID 11520809 is CC(C)c1ccccc1P([C]1[CH][CH][CH][CH]1)c1ccccc1C(C)C.CC(C)c1ccccc1P([C]1[CH][CH][CH][CH]1)c1ccccc1C(C)C.Cl[Pd]Cl.[Fe+2].

What is the InChIKey of CID 11520809?

The InChIKey is CLCHUZUSCWXKMN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C23H26P.2ClH.Fe.Pd/c2*1-17(2)20-13-7-9-15-22(20)24(19-11-5-6-12-19)23-16-10-8-14-21(23)18(3)4;;;;/h2*5-18H,1-4H3;2*1H;;/q;;;;2*+2/p-2.

What are the key properties of CID 11520809?

CID 11520809 has a molecular weight of 900.04 g/mol, XLogP of 12.83, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for CID 11520809 is sourced from PubChem (CID 11520809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11520809 — identifiers, structure, computed properties (public domain)

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