bis(2-tert-butyl-5-methylcyclopenta-1,3-diene);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenehafnium(2+));dichloride

C66H92Cl2Hf2Si2-2 — CID 173384985

About bis(2-tert-butyl-5-methylcyclopenta-1,3-diene);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenehafnium(2+));dichloride

bis(2-tert-butyl-5-methylcyclopenta-1,3-diene);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenehafnium(2+));dichloride (PubChem CID 173384985) has the molecular formula C66H92Cl2Hf2Si2-2 and a molecular weight of 1369.52 g/mol. Its IUPAC name is bis(2-tert-butyl-5-methylcyclopenta-1,3-diene);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenehafnium(2+));dichloride.

Molecular Properties

• Compound Name: bis(2-tert-butyl-5-methylcyclopenta-1,3-diene);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenehafnium(2+));dichloride
• PubChem CID: 173384985
• Molecular Formula: C66H92Cl2Hf2Si2-2
• Molecular Weight: 1369.52 g/mol
• Exact Mass: 1370.51
• IUPAC Name: bis(2-tert-butyl-5-methylcyclopenta-1,3-diene);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenehafnium(2+));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.CC1[C-]=CC(C(C)(C)C)=C1.CC1[C-]=CC(C(C)(C)C)=C1.C[Si](C)=[Hf+2].C[Si](C)=[Hf+2].[Cl-].[Cl-]
• InChI: InChI=1S/2C21H25.2C10H15.2C2H6Si.2ClH.2Hf/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*1-8-5-6-9(7-8)10(2,3)4;2*1-3-2;;;;/h2*7,9-10,12-13H,11H2,1-6H3;2*6-8H,1-4H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2
• InChIKey: OORJUVOOZAQLGY-UHFFFAOYSA-L
• XLogP: 12.82
• TPSA: 0.00 Ų
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1369.52
LogP ≤ 5	12.82
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(2-tert-butyl-5-methylcyclopenta-1,3-diene);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenehafnium(2+));dichloride?

The IUPAC name of bis(2-tert-butyl-5-methylcyclopenta-1,3-diene);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenehafnium(2+));dichloride (CID 173384985) is bis(2-tert-butyl-5-methylcyclopenta-1,3-diene);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenehafnium(2+));dichloride.

What is the SMILES notation for bis(2-tert-butyl-5-methylcyclopenta-1,3-diene);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenehafnium(2+));dichloride?

The canonical SMILES for bis(2-tert-butyl-5-methylcyclopenta-1,3-diene);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenehafnium(2+));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.CC1[C-]=CC(C(C)(C)C)=C1.CC1[C-]=CC(C(C)(C)C)=C1.C[Si](C)=[Hf+2].C[Si](C)=[Hf+2].[Cl-].[Cl-].

What is the InChIKey of bis(2-tert-butyl-5-methylcyclopenta-1,3-diene);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenehafnium(2+));dichloride?

The InChIKey is OORJUVOOZAQLGY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C21H25.2C10H15.2C2H6Si.2ClH.2Hf/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*1-8-5-6-9(7-8)10(2,3)4;2*1-3-2;;;;/h2*7,9-10,12-13H,11H2,1-6H3;2*6-8H,1-4H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2.

What are the key properties of bis(2-tert-butyl-5-methylcyclopenta-1,3-diene);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenehafnium(2+));dichloride?

bis(2-tert-butyl-5-methylcyclopenta-1,3-diene);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenehafnium(2+));dichloride has a molecular weight of 1369.52 g/mol, XLogP of 12.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-tert-butyl-5-methylcyclopenta-1,3-diene);bis(3,6-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenehafnium(2+));dichloride is sourced from PubChem (CID 173384985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).