bis(cyclopenta-1,3-diene);bis(diphenylsilylidenehafnium(2+));bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride

C52H58Cl2Hf2Si2 — CID 173383361

About bis(cyclopenta-1,3-diene);bis(diphenylsilylidenehafnium(2+));bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride

bis(cyclopenta-1,3-diene);bis(diphenylsilylidenehafnium(2+));bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride (PubChem CID 173383361) has the molecular formula C52H58Cl2Hf2Si2 and a molecular weight of 1167.09 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);bis(diphenylsilylidenehafnium(2+));bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride.

Molecular Properties

• Compound Name: bis(cyclopenta-1,3-diene);bis(diphenylsilylidenehafnium(2+));bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride
• PubChem CID: 173383361
• Molecular Formula: C52H58Cl2Hf2Si2
• Molecular Weight: 1167.09 g/mol
• Exact Mass: 1168.24
• IUPAC Name: bis(cyclopenta-1,3-diene);bis(diphenylsilylidenehafnium(2+));bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride
• SMILES: CC1=[C-]C(C)C(C)=C1C.CC1=[C-]C(C)C(C)=C1C.Cl.Cl.[C-]1=CC=CC1.[C-]1=CC=CC1.[Hf+2]=[Si](c1ccccc1)c1ccccc1.[Hf+2]=[Si](c1ccccc1)c1ccccc1
• InChI: InChI=1S/2C12H10Si.2C9H13.2C5H5.2ClH.2Hf/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-6-5-7(2)9(4)8(6)3;2*1-2-4-5-3-1;;;;/h2*1-10H;2*6H,1-4H3;2*1-3H,4H2;2*1H;;/q;;4*-1;;;2*+2
• InChIKey: VERPLVRTUKBNRS-UHFFFAOYSA-N
• XLogP: 11.58
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1167.09
LogP ≤ 5	11.58
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 bis(cyclopenta-1,3-diene);bis(diphenylsilylidenehafnium(2+));bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride?

The IUPAC name of bis(cyclopenta-1,3-diene);bis(diphenylsilylidenehafnium(2+));bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride (CID 173383361) is bis(cyclopenta-1,3-diene);bis(diphenylsilylidenehafnium(2+));bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride.

What is the SMILES notation for bis(cyclopenta-1,3-diene);bis(diphenylsilylidenehafnium(2+));bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride?

The canonical SMILES for bis(cyclopenta-1,3-diene);bis(diphenylsilylidenehafnium(2+));bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride is CC1=[C-]C(C)C(C)=C1C.CC1=[C-]C(C)C(C)=C1C.Cl.Cl.[C-]1=CC=CC1.[C-]1=CC=CC1.[Hf+2]=[Si](c1ccccc1)c1ccccc1.[Hf+2]=[Si](c1ccccc1)c1ccccc1.

What is the InChIKey of bis(cyclopenta-1,3-diene);bis(diphenylsilylidenehafnium(2+));bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride?

The InChIKey is VERPLVRTUKBNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10Si.2C9H13.2C5H5.2ClH.2Hf/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-6-5-7(2)9(4)8(6)3;2*1-2-4-5-3-1;;;;/h2*1-10H;2*6H,1-4H3;2*1-3H,4H2;2*1H;;/q;;4*-1;;;2*+2.

What are the key properties of bis(cyclopenta-1,3-diene);bis(diphenylsilylidenehafnium(2+));bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride?

bis(cyclopenta-1,3-diene);bis(diphenylsilylidenehafnium(2+));bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride has a molecular weight of 1167.09 g/mol, XLogP of 11.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(cyclopenta-1,3-diene);bis(diphenylsilylidenehafnium(2+));bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride is sourced from PubChem (CID 173383361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).