bis(cyclopenta-1,3-diene);bis(1H-inden-1-ide);propan-2-ylidenezirconium(2+);zirconium(4+);tetrachloride

C31H30Cl4Zr2-2 — CID 173106516

About bis(cyclopenta-1,3-diene);bis(1H-inden-1-ide);propan-2-ylidenezirconium(2+);zirconium(4+);tetrachloride

bis(cyclopenta-1,3-diene);bis(1H-inden-1-ide);propan-2-ylidenezirconium(2+);zirconium(4+);tetrachloride (PubChem CID 173106516) has the molecular formula C31H30Cl4Zr2-2 and a molecular weight of 726.84 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);bis(1H-inden-1-ide);propan-2-ylidenezirconium(2+);zirconium(4+);tetrachloride.

Molecular Properties

• Compound Name: bis(cyclopenta-1,3-diene);bis(1H-inden-1-ide);propan-2-ylidenezirconium(2+);zirconium(4+);tetrachloride
• PubChem CID: 173106516
• Molecular Formula: C31H30Cl4Zr2-2
• Molecular Weight: 726.84 g/mol
• Exact Mass: 721.92
• IUPAC Name: bis(cyclopenta-1,3-diene);bis(1H-inden-1-ide);propan-2-ylidenezirconium(2+);zirconium(4+);tetrachloride
• SMILES: CC(C)=[Zr+2].[C-]1=CC=CC1.[C-]1=CC=CC1.[Cl-].[Cl-].[Cl-].[Cl-].[Zr+4].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
• InChI: InChI=1S/2C9H7.2C5H5.C3H6.4ClH.2Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-5-3-1;1-3-2;;;;;;/h2*1-7H;2*1-3H,4H2;1-2H3;4*1H;;/q4*-1;;;;;;+2;+4/p-4
• InChIKey: OLPJHRHSCYLKNH-UHFFFAOYSA-J
• XLogP: -3.51
• TPSA: 0.00 Ų
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	726.84
LogP ≤ 5	-3.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);bis(1H-inden-1-ide);propan-2-ylidenezirconium(2+);zirconium(4+);tetrachloride?

The IUPAC name of bis(cyclopenta-1,3-diene);bis(1H-inden-1-ide);propan-2-ylidenezirconium(2+);zirconium(4+);tetrachloride (CID 173106516) is bis(cyclopenta-1,3-diene);bis(1H-inden-1-ide);propan-2-ylidenezirconium(2+);zirconium(4+);tetrachloride.

What is the SMILES notation for bis(cyclopenta-1,3-diene);bis(1H-inden-1-ide);propan-2-ylidenezirconium(2+);zirconium(4+);tetrachloride?

The canonical SMILES for bis(cyclopenta-1,3-diene);bis(1H-inden-1-ide);propan-2-ylidenezirconium(2+);zirconium(4+);tetrachloride is CC(C)=[Zr+2].[C-]1=CC=CC1.[C-]1=CC=CC1.[Cl-].[Cl-].[Cl-].[Cl-].[Zr+4].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.

What is the InChIKey of bis(cyclopenta-1,3-diene);bis(1H-inden-1-ide);propan-2-ylidenezirconium(2+);zirconium(4+);tetrachloride?

The InChIKey is OLPJHRHSCYLKNH-UHFFFAOYSA-J. The full InChI is InChI=1S/2C9H7.2C5H5.C3H6.4ClH.2Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-5-3-1;1-3-2;;;;;;/h2*1-7H;2*1-3H,4H2;1-2H3;4*1H;;/q4*-1;;;;;;+2;+4/p-4.

What are the key properties of bis(cyclopenta-1,3-diene);bis(1H-inden-1-ide);propan-2-ylidenezirconium(2+);zirconium(4+);tetrachloride?

bis(cyclopenta-1,3-diene);bis(1H-inden-1-ide);propan-2-ylidenezirconium(2+);zirconium(4+);tetrachloride has a molecular weight of 726.84 g/mol, XLogP of -3.51, 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(1H-inden-1-ide);propan-2-ylidenezirconium(2+);zirconium(4+);tetrachloride is sourced from PubChem (CID 173106516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).