bis(benzhydrylidenezirconium(2+));bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);dichloride

C84H96Cl2Si2Zr2-2 — CID 22327826

About bis(benzhydrylidenezirconium(2+));bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);dichloride

bis(benzhydrylidenezirconium(2+));bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);dichloride (PubChem CID 22327826) has the molecular formula C84H96Cl2Si2Zr2-2 and a molecular weight of 1415.22 g/mol. Its IUPAC name is bis(benzhydrylidenezirconium(2+));bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);dichloride.

Molecular Properties

• Compound Name: bis(benzhydrylidenezirconium(2+));bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);dichloride
• PubChem CID: 22327826
• Molecular Formula: C84H96Cl2Si2Zr2-2
• Molecular Weight: 1415.22 g/mol
• Exact Mass: 1410.45
• IUPAC Name: bis(benzhydrylidenezirconium(2+));bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);dichloride
• SMILES: CC(C)(C)c1c[c-]c2c(c1)-c1cc(C(C)(C)C)ccc1C2.CC(C)(C)c1c[c-]c2c(c1)-c1cc(C(C)(C)C)ccc1C2.C[Si](C)(C)C1=CC[C-]=C1.C[Si](C)(C)C1=CC[C-]=C1.[Cl-].[Cl-].[Zr+2]=C(c1ccccc1)c1ccccc1.[Zr+2]=C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/2C21H25.2C13H10.2C8H13Si.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*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-9(2,3)8-6-4-5-7-8;;;;/h2*7,9-10,12-13H,11H2,1-6H3;2*1-10H;2*6-7H,4H2,1-3H3;2*1H;;/q2*-1;;;2*-1;;;2*+2/p-2
• InChIKey: QWAYCZJVLOPUMY-UHFFFAOYSA-L
• XLogP: 16.02
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1415.22
LogP ≤ 5	16.02
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(benzhydrylidenezirconium(2+));bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);dichloride?

The IUPAC name of bis(benzhydrylidenezirconium(2+));bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);dichloride (CID 22327826) is bis(benzhydrylidenezirconium(2+));bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);dichloride.

What is the SMILES notation for bis(benzhydrylidenezirconium(2+));bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);dichloride?

The canonical SMILES for bis(benzhydrylidenezirconium(2+));bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);dichloride is CC(C)(C)c1c[c-]c2c(c1)-c1cc(C(C)(C)C)ccc1C2.CC(C)(C)c1c[c-]c2c(c1)-c1cc(C(C)(C)C)ccc1C2.C[Si](C)(C)C1=CC[C-]=C1.C[Si](C)(C)C1=CC[C-]=C1.[Cl-].[Cl-].[Zr+2]=C(c1ccccc1)c1ccccc1.[Zr+2]=C(c1ccccc1)c1ccccc1.

What is the InChIKey of bis(benzhydrylidenezirconium(2+));bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);dichloride?

The InChIKey is QWAYCZJVLOPUMY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C21H25.2C13H10.2C8H13Si.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*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-9(2,3)8-6-4-5-7-8;;;;/h2*7,9-10,12-13H,11H2,1-6H3;2*1-10H;2*6-7H,4H2,1-3H3;2*1H;;/q2*-1;;;2*-1;;;2*+2/p-2.

What are the key properties of bis(benzhydrylidenezirconium(2+));bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);dichloride?

bis(benzhydrylidenezirconium(2+));bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);dichloride has a molecular weight of 1415.22 g/mol, XLogP of 16.02, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(benzhydrylidenezirconium(2+));bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);dichloride is sourced from PubChem (CID 22327826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).