carbanide;2,7-ditert-butyl-1,9-dihydrofluoren-1-ide;2-ethylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride

C30H44Cl2SiZr-4 — CID 173245989

About carbanide;2,7-ditert-butyl-1,9-dihydrofluoren-1-ide;2-ethylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride

carbanide;2,7-ditert-butyl-1,9-dihydrofluoren-1-ide;2-ethylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride (PubChem CID 173245989) has the molecular formula C30H44Cl2SiZr-4 and a molecular weight of 594.90 g/mol. Its IUPAC name is carbanide;2,7-ditert-butyl-1,9-dihydrofluoren-1-ide;2-ethylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride.

Molecular Properties

• Compound Name: carbanide;2,7-ditert-butyl-1,9-dihydrofluoren-1-ide;2-ethylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride
• PubChem CID: 173245989
• Molecular Formula: C30H44Cl2SiZr-4
• Molecular Weight: 594.90 g/mol
• Exact Mass: 592.17
• IUPAC Name: carbanide;2,7-ditert-butyl-1,9-dihydrofluoren-1-ide;2-ethylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride
• SMILES: CC(C)(C)c1[c-]c2c(cc1)-c1ccc(C(C)(C)C)cc1C2.CCC1=[C-]CC=C1.Cl.Cl.[CH3-].[CH3-].[SiH2]=[Zr]
• InChI: InChI=1S/C21H25.C7H9.2CH3.2ClH.H2Si.Zr/c1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)18;1-2-7-5-3-4-6-7;;;;;;/h7-10,12H,11H2,1-6H3;3,5H,2,4H2,1H3;2*1H3;2*1H;1H2;/q4*-1
• InChIKey: FRJVUTZFPDVSIR-UHFFFAOYSA-N
• XLogP: 8.56
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.90
LogP ≤ 5	8.56
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 carbanide;2,7-ditert-butyl-1,9-dihydrofluoren-1-ide;2-ethylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride?

The IUPAC name of carbanide;2,7-ditert-butyl-1,9-dihydrofluoren-1-ide;2-ethylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride (CID 173245989) is carbanide;2,7-ditert-butyl-1,9-dihydrofluoren-1-ide;2-ethylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride.

What is the SMILES notation for carbanide;2,7-ditert-butyl-1,9-dihydrofluoren-1-ide;2-ethylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride?

The canonical SMILES for carbanide;2,7-ditert-butyl-1,9-dihydrofluoren-1-ide;2-ethylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride is CC(C)(C)c1[c-]c2c(cc1)-c1ccc(C(C)(C)C)cc1C2.CCC1=[C-]CC=C1.Cl.Cl.[CH3-].[CH3-].[SiH2]=[Zr].

What is the InChIKey of carbanide;2,7-ditert-butyl-1,9-dihydrofluoren-1-ide;2-ethylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride?

The InChIKey is FRJVUTZFPDVSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25.C7H9.2CH3.2ClH.H2Si.Zr/c1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)18;1-2-7-5-3-4-6-7;;;;;;/h7-10,12H,11H2,1-6H3;3,5H,2,4H2,1H3;2*1H3;2*1H;1H2;/q4*-1;;;;.

What are the key properties of carbanide;2,7-ditert-butyl-1,9-dihydrofluoren-1-ide;2-ethylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride?

carbanide;2,7-ditert-butyl-1,9-dihydrofluoren-1-ide;2-ethylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride has a molecular weight of 594.90 g/mol, XLogP of 8.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;2,7-ditert-butyl-1,9-dihydrofluoren-1-ide;2-ethylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride is sourced from PubChem (CID 173245989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).