bis(cyclopenta-1,3-diene);bis(2,7-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenetitanium(2+));dichloride

C56H72Cl2Si2Ti2-2 — CID 22599253

About bis(cyclopenta-1,3-diene);bis(2,7-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenetitanium(2+));dichloride

bis(cyclopenta-1,3-diene);bis(2,7-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenetitanium(2+));dichloride (PubChem CID 22599253) has the molecular formula C56H72Cl2Si2Ti2-2 and a molecular weight of 968.00 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);bis(2,7-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenetitanium(2+));dichloride.

Molecular Properties

• Compound Name: bis(cyclopenta-1,3-diene);bis(2,7-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenetitanium(2+));dichloride
• PubChem CID: 22599253
• Molecular Formula: C56H72Cl2Si2Ti2-2
• Molecular Weight: 968.00 g/mol
• Exact Mass: 966.35
• IUPAC Name: bis(cyclopenta-1,3-diene);bis(2,7-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenetitanium(2+));dichloride
• SMILES: CC(C)(C)c1[c-]c2c(cc1)-c1ccc(C(C)(C)C)cc1C2.CC(C)(C)c1[c-]c2c(cc1)-c1ccc(C(C)(C)C)cc1C2.C[Si](C)=[Ti+2].C[Si](C)=[Ti+2].[C-]1=CC=CC1.[C-]1=CC=CC1.[Cl-].[Cl-]
• InChI: InChI=1S/2C21H25.2C5H5.2C2H6Si.2ClH.2Ti/c2*1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)18;2*1-2-4-5-3-1;2*1-3-2;;;;/h2*7-10,12H,11H2,1-6H3;2*1-3H,4H2;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2
• InChIKey: HLBMCPOGACLGNA-UHFFFAOYSA-L
• XLogP: 9.49
• TPSA: 0.00 Ų
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	968.00
LogP ≤ 5	9.49
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(2,7-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenetitanium(2+));dichloride?

The IUPAC name of bis(cyclopenta-1,3-diene);bis(2,7-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenetitanium(2+));dichloride (CID 22599253) is bis(cyclopenta-1,3-diene);bis(2,7-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenetitanium(2+));dichloride.

What is the SMILES notation for bis(cyclopenta-1,3-diene);bis(2,7-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenetitanium(2+));dichloride?

The canonical SMILES for bis(cyclopenta-1,3-diene);bis(2,7-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenetitanium(2+));dichloride is CC(C)(C)c1[c-]c2c(cc1)-c1ccc(C(C)(C)C)cc1C2.CC(C)(C)c1[c-]c2c(cc1)-c1ccc(C(C)(C)C)cc1C2.C[Si](C)=[Ti+2].C[Si](C)=[Ti+2].[C-]1=CC=CC1.[C-]1=CC=CC1.[Cl-].[Cl-].

What is the InChIKey of bis(cyclopenta-1,3-diene);bis(2,7-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenetitanium(2+));dichloride?

The InChIKey is HLBMCPOGACLGNA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C21H25.2C5H5.2C2H6Si.2ClH.2Ti/c2*1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)18;2*1-2-4-5-3-1;2*1-3-2;;;;/h2*7-10,12H,11H2,1-6H3;2*1-3H,4H2;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2.

What are the key properties of bis(cyclopenta-1,3-diene);bis(2,7-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenetitanium(2+));dichloride?

bis(cyclopenta-1,3-diene);bis(2,7-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenetitanium(2+));dichloride has a molecular weight of 968.00 g/mol, XLogP of 9.49, 0 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(2,7-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenetitanium(2+));dichloride is sourced from PubChem (CID 22599253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).