bis(diphenylsilylidenezirconium(2+));tetrakis(9-(2-ethyl-1H-inden-1-id-4-yl)phenanthrene);dichloride

C124H96Cl2Si2Zr2-2 — CID 18008195

About bis(diphenylsilylidenezirconium(2+));tetrakis(9-(2-ethyl-1H-inden-1-id-4-yl)phenanthrene);dichloride

bis(diphenylsilylidenezirconium(2+));tetrakis(9-(2-ethyl-1H-inden-1-id-4-yl)phenanthrene);dichloride (PubChem CID 18008195) has the molecular formula C124H96Cl2Si2Zr2-2 and a molecular weight of 1895.66 g/mol. Its IUPAC name is bis(diphenylsilylidenezirconium(2+));tetrakis(9-(2-ethyl-1H-inden-1-id-4-yl)phenanthrene);dichloride.

Molecular Properties

• Compound Name: bis(diphenylsilylidenezirconium(2+));tetrakis(9-(2-ethyl-1H-inden-1-id-4-yl)phenanthrene);dichloride
• PubChem CID: 18008195
• Molecular Formula: C124H96Cl2Si2Zr2-2
• Molecular Weight: 1895.66 g/mol
• Exact Mass: 1890.45
• IUPAC Name: bis(diphenylsilylidenezirconium(2+));tetrakis(9-(2-ethyl-1H-inden-1-id-4-yl)phenanthrene);dichloride
• SMILES: CCc1cc2c(-c3cc4ccccc4c4ccccc34)cccc2[cH-]1.CCc1cc2c(-c3cc4ccccc4c4ccccc34)cccc2[cH-]1.CCc1cc2c(-c3cc4ccccc4c4ccccc34)cccc2[cH-]1.CCc1cc2c(-c3cc4ccccc4c4ccccc34)cccc2[cH-]1.[Cl-].[Cl-].[Zr+2]=[Si](c1ccccc1)c1ccccc1.[Zr+2]=[Si](c1ccccc1)c1ccccc1
• InChI: InChI=1S/4C25H19.2C12H10Si.2ClH.2Zr/c4*1-2-17-14-18-9-7-13-23(24(18)15-17)25-16-19-8-3-4-10-20(19)21-11-5-6-12-22(21)25;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;/h4*3-16H,2H2,1H3;2*1-10H;2*1H;;/q4*-1;;;;;2*+2/p-2
• InChIKey: JTLKBBHLWIHNCT-UHFFFAOYSA-L
• XLogP: 25.06
• TPSA: 0.00 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1895.66
LogP ≤ 5	25.06
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(diphenylsilylidenezirconium(2+));tetrakis(9-(2-ethyl-1H-inden-1-id-4-yl)phenanthrene);dichloride?

The IUPAC name of bis(diphenylsilylidenezirconium(2+));tetrakis(9-(2-ethyl-1H-inden-1-id-4-yl)phenanthrene);dichloride (CID 18008195) is bis(diphenylsilylidenezirconium(2+));tetrakis(9-(2-ethyl-1H-inden-1-id-4-yl)phenanthrene);dichloride.

What is the SMILES notation for bis(diphenylsilylidenezirconium(2+));tetrakis(9-(2-ethyl-1H-inden-1-id-4-yl)phenanthrene);dichloride?

The canonical SMILES for bis(diphenylsilylidenezirconium(2+));tetrakis(9-(2-ethyl-1H-inden-1-id-4-yl)phenanthrene);dichloride is CCc1cc2c(-c3cc4ccccc4c4ccccc34)cccc2[cH-]1.CCc1cc2c(-c3cc4ccccc4c4ccccc34)cccc2[cH-]1.CCc1cc2c(-c3cc4ccccc4c4ccccc34)cccc2[cH-]1.CCc1cc2c(-c3cc4ccccc4c4ccccc34)cccc2[cH-]1.[Cl-].[Cl-].[Zr+2]=[Si](c1ccccc1)c1ccccc1.[Zr+2]=[Si](c1ccccc1)c1ccccc1.

What is the InChIKey of bis(diphenylsilylidenezirconium(2+));tetrakis(9-(2-ethyl-1H-inden-1-id-4-yl)phenanthrene);dichloride?

The InChIKey is JTLKBBHLWIHNCT-UHFFFAOYSA-L. The full InChI is InChI=1S/4C25H19.2C12H10Si.2ClH.2Zr/c4*1-2-17-14-18-9-7-13-23(24(18)15-17)25-16-19-8-3-4-10-20(19)21-11-5-6-12-22(21)25;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;/h4*3-16H,2H2,1H3;2*1-10H;2*1H;;/q4*-1;;;;;2*+2/p-2.

What are the key properties of bis(diphenylsilylidenezirconium(2+));tetrakis(9-(2-ethyl-1H-inden-1-id-4-yl)phenanthrene);dichloride?

bis(diphenylsilylidenezirconium(2+));tetrakis(9-(2-ethyl-1H-inden-1-id-4-yl)phenanthrene);dichloride has a molecular weight of 1895.66 g/mol, XLogP of 25.06, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(diphenylsilylidenezirconium(2+));tetrakis(9-(2-ethyl-1H-inden-1-id-4-yl)phenanthrene);dichloride is sourced from PubChem (CID 18008195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).