bis(cyclopenta-1,3-diene);3,6-ditert-butyl-2,7-dimethyl-9H-fluoren-9-ide;3,6-ditert-butyl-2,7-diphenyl-9H-fluoren-9-ide;diphenylsilylidenezirconium;diphenylsilylidenezirconium(2+);tetrachloride

C90H92Cl4Si2Zr2-6 — CID 173195708

About bis(cyclopenta-1,3-diene);3,6-ditert-butyl-2,7-dimethyl-9H-fluoren-9-ide;3,6-ditert-butyl-2,7-diphenyl-9H-fluoren-9-ide;diphenylsilylidenezirconium;diphenylsilylidenezirconium(2+);tetrachloride

bis(cyclopenta-1,3-diene);3,6-ditert-butyl-2,7-dimethyl-9H-fluoren-9-ide;3,6-ditert-butyl-2,7-diphenyl-9H-fluoren-9-ide;diphenylsilylidenezirconium;diphenylsilylidenezirconium(2+);tetrachloride (PubChem CID 173195708) has the molecular formula C90H92Cl4Si2Zr2-6 and a molecular weight of 1554.16 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);3,6-ditert-butyl-2,7-dimethyl-9H-fluoren-9-ide;3,6-ditert-butyl-2,7-diphenyl-9H-fluoren-9-ide;diphenylsilylidenezirconium;diphenylsilylidenezirconium(2+);tetrachloride.

Molecular Properties

• Compound Name: bis(cyclopenta-1,3-diene);3,6-ditert-butyl-2,7-dimethyl-9H-fluoren-9-ide;3,6-ditert-butyl-2,7-diphenyl-9H-fluoren-9-ide;diphenylsilylidenezirconium;diphenylsilylidenezirconium(2+);tetrachloride
• PubChem CID: 173195708
• Molecular Formula: C90H92Cl4Si2Zr2-6
• Molecular Weight: 1554.16 g/mol
• Exact Mass: 1548.36
• IUPAC Name: bis(cyclopenta-1,3-diene);3,6-ditert-butyl-2,7-dimethyl-9H-fluoren-9-ide;3,6-ditert-butyl-2,7-diphenyl-9H-fluoren-9-ide;diphenylsilylidenezirconium;diphenylsilylidenezirconium(2+);tetrachloride
• SMILES: CC(C)(C)c1cc2c(cc1-c1ccccc1)[cH-]c1cc(-c3ccccc3)c(C(C)(C)C)cc12.Cc1cc2[cH-]c3cc(C)c(C(C)(C)C)cc3c2cc1C(C)(C)C.[C-]1=CC=CC1.[C-]1=CC=CC1.[Cl-].[Cl-].[Cl-].[Cl-].[Zr+2]=[Si](c1ccccc1)c1ccccc1.[Zr]=[Si](c1ccccc1)c1ccccc1
• InChI: InChI=1S/C33H33.C23H29.2C12H10Si.2C5H5.4ClH.2Zr/c1-32(2,3)30-20-26-24(18-28(30)22-13-9-7-10-14-22)17-25-19-29(23-15-11-8-12-16-23)31(21-27(25)26)33(4,5)6;1-14-9-16-11-17-10-15(2)21(23(6,7)8)13-19(17)18(16)12-20(14)22(3,4)5;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-4-5-3-1;;;;;;/h7-21H,1-6H3;9-13H,1-8H3;2*1-10H;2*1-3H,4H2;4*1H;;/q2*-1;;;2*-1;;;;;;+2/p-4
• InChIKey: DAGFPZXVMZLLNB-UHFFFAOYSA-J
• XLogP: 9.87
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1554.16
LogP ≤ 5	9.87
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);3,6-ditert-butyl-2,7-dimethyl-9H-fluoren-9-ide;3,6-ditert-butyl-2,7-diphenyl-9H-fluoren-9-ide;diphenylsilylidenezirconium;diphenylsilylidenezirconium(2+);tetrachloride?

The IUPAC name of bis(cyclopenta-1,3-diene);3,6-ditert-butyl-2,7-dimethyl-9H-fluoren-9-ide;3,6-ditert-butyl-2,7-diphenyl-9H-fluoren-9-ide;diphenylsilylidenezirconium;diphenylsilylidenezirconium(2+);tetrachloride (CID 173195708) is bis(cyclopenta-1,3-diene);3,6-ditert-butyl-2,7-dimethyl-9H-fluoren-9-ide;3,6-ditert-butyl-2,7-diphenyl-9H-fluoren-9-ide;diphenylsilylidenezirconium;diphenylsilylidenezirconium(2+);tetrachloride.

What is the SMILES notation for bis(cyclopenta-1,3-diene);3,6-ditert-butyl-2,7-dimethyl-9H-fluoren-9-ide;3,6-ditert-butyl-2,7-diphenyl-9H-fluoren-9-ide;diphenylsilylidenezirconium;diphenylsilylidenezirconium(2+);tetrachloride?

The canonical SMILES for bis(cyclopenta-1,3-diene);3,6-ditert-butyl-2,7-dimethyl-9H-fluoren-9-ide;3,6-ditert-butyl-2,7-diphenyl-9H-fluoren-9-ide;diphenylsilylidenezirconium;diphenylsilylidenezirconium(2+);tetrachloride is CC(C)(C)c1cc2c(cc1-c1ccccc1)[cH-]c1cc(-c3ccccc3)c(C(C)(C)C)cc12.Cc1cc2[cH-]c3cc(C)c(C(C)(C)C)cc3c2cc1C(C)(C)C.[C-]1=CC=CC1.[C-]1=CC=CC1.[Cl-].[Cl-].[Cl-].[Cl-].[Zr+2]=[Si](c1ccccc1)c1ccccc1.[Zr]=[Si](c1ccccc1)c1ccccc1.

What is the InChIKey of bis(cyclopenta-1,3-diene);3,6-ditert-butyl-2,7-dimethyl-9H-fluoren-9-ide;3,6-ditert-butyl-2,7-diphenyl-9H-fluoren-9-ide;diphenylsilylidenezirconium;diphenylsilylidenezirconium(2+);tetrachloride?

The InChIKey is DAGFPZXVMZLLNB-UHFFFAOYSA-J. The full InChI is InChI=1S/C33H33.C23H29.2C12H10Si.2C5H5.4ClH.2Zr/c1-32(2,3)30-20-26-24(18-28(30)22-13-9-7-10-14-22)17-25-19-29(23-15-11-8-12-16-23)31(21-27(25)26)33(4,5)6;1-14-9-16-11-17-10-15(2)21(23(6,7)8)13-19(17)18(16)12-20(14)22(3,4)5;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-4-5-3-1;;;;;;/h7-21H,1-6H3;9-13H,1-8H3;2*1-10H;2*1-3H,4H2;4*1H;;/q2*-1;;;2*-1;;;;;;+2/p-4.

What are the key properties of bis(cyclopenta-1,3-diene);3,6-ditert-butyl-2,7-dimethyl-9H-fluoren-9-ide;3,6-ditert-butyl-2,7-diphenyl-9H-fluoren-9-ide;diphenylsilylidenezirconium;diphenylsilylidenezirconium(2+);tetrachloride?

bis(cyclopenta-1,3-diene);3,6-ditert-butyl-2,7-dimethyl-9H-fluoren-9-ide;3,6-ditert-butyl-2,7-diphenyl-9H-fluoren-9-ide;diphenylsilylidenezirconium;diphenylsilylidenezirconium(2+);tetrachloride has a molecular weight of 1554.16 g/mol, XLogP of 9.87, 6 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);3,6-ditert-butyl-2,7-dimethyl-9H-fluoren-9-ide;3,6-ditert-butyl-2,7-diphenyl-9H-fluoren-9-ide;diphenylsilylidenezirconium;diphenylsilylidenezirconium(2+);tetrachloride is sourced from PubChem (CID 173195708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).