bis(cyclopenta-1,3-diene);bis(cyclopropylidenezirconium(2+));bis(trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane);dichloride

C54H68Cl2Si4Zr2-2 — CID 23078753

About bis(cyclopenta-1,3-diene);bis(cyclopropylidenezirconium(2+));bis(trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane);dichloride

bis(cyclopenta-1,3-diene);bis(cyclopropylidenezirconium(2+));bis(trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane);dichloride (PubChem CID 23078753) has the molecular formula C54H68Cl2Si4Zr2-2 and a molecular weight of 1082.84 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);bis(cyclopropylidenezirconium(2+));bis(trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane);dichloride.

Molecular Properties

• Compound Name: bis(cyclopenta-1,3-diene);bis(cyclopropylidenezirconium(2+));bis(trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane);dichloride
• PubChem CID: 23078753
• Molecular Formula: C54H68Cl2Si4Zr2-2
• Molecular Weight: 1082.84 g/mol
• Exact Mass: 1078.19
• IUPAC Name: bis(cyclopenta-1,3-diene);bis(cyclopropylidenezirconium(2+));bis(trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane);dichloride
• SMILES: C[Si](C)(C)c1c[c-]c2c(c1)-c1cc([Si](C)(C)C)ccc1C2.C[Si](C)(C)c1c[c-]c2c(c1)-c1cc([Si](C)(C)C)ccc1C2.[C-]1=CC=CC1.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+2]=C1CC1.[Zr+2]=C1CC1
• InChI: InChI=1S/2C19H25Si2.2C5H5.2C3H4.2ClH.2Zr/c2*1-20(2,3)16-9-7-14-11-15-8-10-17(21(4,5)6)13-19(15)18(14)12-16;2*1-2-4-5-3-1;2*1-2-3-1;;;;/h2*7,9-10,12-13H,11H2,1-6H3;2*1-3H,4H2;2*1-2H2;2*1H;;/q4*-1;;;;;2*+2/p-2
• InChIKey: IMKKIWDSACRJHI-UHFFFAOYSA-L
• XLogP: 5.91
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1082.84
LogP ≤ 5	5.91
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(cyclopropylidenezirconium(2+));bis(trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane);dichloride?

The IUPAC name of bis(cyclopenta-1,3-diene);bis(cyclopropylidenezirconium(2+));bis(trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane);dichloride (CID 23078753) is bis(cyclopenta-1,3-diene);bis(cyclopropylidenezirconium(2+));bis(trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane);dichloride.

What is the SMILES notation for bis(cyclopenta-1,3-diene);bis(cyclopropylidenezirconium(2+));bis(trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane);dichloride?

The canonical SMILES for bis(cyclopenta-1,3-diene);bis(cyclopropylidenezirconium(2+));bis(trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane);dichloride is C[Si](C)(C)c1c[c-]c2c(c1)-c1cc([Si](C)(C)C)ccc1C2.C[Si](C)(C)c1c[c-]c2c(c1)-c1cc([Si](C)(C)C)ccc1C2.[C-]1=CC=CC1.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+2]=C1CC1.[Zr+2]=C1CC1.

What is the InChIKey of bis(cyclopenta-1,3-diene);bis(cyclopropylidenezirconium(2+));bis(trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane);dichloride?

The InChIKey is IMKKIWDSACRJHI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C19H25Si2.2C5H5.2C3H4.2ClH.2Zr/c2*1-20(2,3)16-9-7-14-11-15-8-10-17(21(4,5)6)13-19(15)18(14)12-16;2*1-2-4-5-3-1;2*1-2-3-1;;;;/h2*7,9-10,12-13H,11H2,1-6H3;2*1-3H,4H2;2*1-2H2;2*1H;;/q4*-1;;;;;2*+2/p-2.

What are the key properties of bis(cyclopenta-1,3-diene);bis(cyclopropylidenezirconium(2+));bis(trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane);dichloride?

bis(cyclopenta-1,3-diene);bis(cyclopropylidenezirconium(2+));bis(trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane);dichloride has a molecular weight of 1082.84 g/mol, XLogP of 5.91, 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(cyclopropylidenezirconium(2+));bis(trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane);dichloride is sourced from PubChem (CID 23078753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).