tripotassium;bis(ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane);iron(2+);palladium(2+);diacetate;phosphate

C30H50FeK3O8P3Pd — CID 131745012

About tripotassium;bis(ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane);iron(2+);palladium(2+);diacetate;phosphate

tripotassium;bis(ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane);iron(2+);palladium(2+);diacetate;phosphate (PubChem CID 131745012) has the molecular formula C30H50FeK3O8P3Pd and a molecular weight of 911.20 g/mol. Its IUPAC name is tripotassium;bis(ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane);iron(2+);palladium(2+);diacetate;phosphate.

Molecular Properties

• Compound Name: tripotassium;bis(ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane);iron(2+);palladium(2+);diacetate;phosphate
• PubChem CID: 131745012
• Molecular Formula: C30H50FeK3O8P3Pd
• Molecular Weight: 911.20 g/mol
• Exact Mass: 910.00
• IUPAC Name: tripotassium;bis(ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane);iron(2+);palladium(2+);diacetate;phosphate
• SMILES: CC(=O)[O-].CC(=O)[O-].CC(C)(C)P(c1cc[cH-]c1)C(C)(C)C.CC(C)(C)P(c1cc[cH-]c1)C(C)(C)C.O=P([O-])([O-])[O-].[Fe+2].[K+].[K+].[K+].[Pd+2]
• InChI: InChI=1S/2C13H22P.2C2H4O2.Fe.3K.H3O4P.Pd/c2*1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;2*1-2(3)4;;;;;1-5(2,3)4;/h2*7-10H,1-6H3;2*1H3,(H,3,4);;;;;(H3,1,2,3,4);/q2*-1;;;+2;3*+1;;+2/p-5
• InChIKey: CYSNFEXZDXCKFW-UHFFFAOYSA-I
• XLogP: -6.09
• TPSA: 166.51 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	911.20
LogP ≤ 5	-6.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tripotassium;bis(ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane);iron(2+);palladium(2+);diacetate;phosphate?

The IUPAC name of tripotassium;bis(ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane);iron(2+);palladium(2+);diacetate;phosphate (CID 131745012) is tripotassium;bis(ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane);iron(2+);palladium(2+);diacetate;phosphate.

What is the SMILES notation for tripotassium;bis(ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane);iron(2+);palladium(2+);diacetate;phosphate?

The canonical SMILES for tripotassium;bis(ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane);iron(2+);palladium(2+);diacetate;phosphate is CC(=O)[O-].CC(=O)[O-].CC(C)(C)P(c1cc[cH-]c1)C(C)(C)C.CC(C)(C)P(c1cc[cH-]c1)C(C)(C)C.O=P([O-])([O-])[O-].[Fe+2].[K+].[K+].[K+].[Pd+2].

What is the InChIKey of tripotassium;bis(ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane);iron(2+);palladium(2+);diacetate;phosphate?

The InChIKey is CYSNFEXZDXCKFW-UHFFFAOYSA-I. The full InChI is InChI=1S/2C13H22P.2C2H4O2.Fe.3K.H3O4P.Pd/c2*1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;2*1-2(3)4;;;;;1-5(2,3)4;/h2*7-10H,1-6H3;2*1H3,(H,3,4);;;;;(H3,1,2,3,4);/q2*-1;;;+2;3*+1;;+2/p-5.

What are the key properties of tripotassium;bis(ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane);iron(2+);palladium(2+);diacetate;phosphate?

tripotassium;bis(ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane);iron(2+);palladium(2+);diacetate;phosphate has a molecular weight of 911.20 g/mol, XLogP of -6.09, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tripotassium;bis(ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane);iron(2+);palladium(2+);diacetate;phosphate is sourced from PubChem (CID 131745012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).