dimethyl-bis(2-methyl-3H-inden-3-id-1-yl)silane;bis(4-fluorophenol);zirconium(2+)

C34H32F2O2SiZr — CID 87777625

About dimethyl-bis(2-methyl-3H-inden-3-id-1-yl)silane;bis(4-fluorophenol);zirconium(2+)

dimethyl-bis(2-methyl-3H-inden-3-id-1-yl)silane;bis(4-fluorophenol);zirconium(2+) (PubChem CID 87777625) has the molecular formula C34H32F2O2SiZr and a molecular weight of 629.93 g/mol. Its IUPAC name is dimethyl-bis(2-methyl-3H-inden-3-id-1-yl)silane;bis(4-fluorophenol);zirconium(2+).

Molecular Properties

• Compound Name: dimethyl-bis(2-methyl-3H-inden-3-id-1-yl)silane;bis(4-fluorophenol);zirconium(2+)
• PubChem CID: 87777625
• Molecular Formula: C34H32F2O2SiZr
• Molecular Weight: 629.93 g/mol
• Exact Mass: 628.12
• IUPAC Name: dimethyl-bis(2-methyl-3H-inden-3-id-1-yl)silane;bis(4-fluorophenol);zirconium(2+)
• SMILES: Cc1[cH-]c2ccccc2c1[Si](C)(C)c1c(C)[cH-]c2ccccc12.Oc1ccc(F)cc1.Oc1ccc(F)cc1.[Zr+2]
• InChI: InChI=1S/C22H22Si.2C6H5FO.Zr/c1-15-13-17-9-5-7-11-19(17)21(15)23(3,4)22-16(2)14-18-10-6-8-12-20(18)22;2*7-5-1-3-6(8)4-2-5;/h5-14H,1-4H3;2*1-4,8H;/q-2;;;+2
• InChIKey: POFFMPAEDSEJGM-UHFFFAOYSA-N
• XLogP: 7.93
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	629.93
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

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 dimethyl-bis(2-methyl-3H-inden-3-id-1-yl)silane;bis(4-fluorophenol);zirconium(2+)?

The IUPAC name of dimethyl-bis(2-methyl-3H-inden-3-id-1-yl)silane;bis(4-fluorophenol);zirconium(2+) (CID 87777625) is dimethyl-bis(2-methyl-3H-inden-3-id-1-yl)silane;bis(4-fluorophenol);zirconium(2+).

What is the SMILES notation for dimethyl-bis(2-methyl-3H-inden-3-id-1-yl)silane;bis(4-fluorophenol);zirconium(2+)?

The canonical SMILES for dimethyl-bis(2-methyl-3H-inden-3-id-1-yl)silane;bis(4-fluorophenol);zirconium(2+) is Cc1[cH-]c2ccccc2c1[Si](C)(C)c1c(C)[cH-]c2ccccc12.Oc1ccc(F)cc1.Oc1ccc(F)cc1.[Zr+2].

What is the InChIKey of dimethyl-bis(2-methyl-3H-inden-3-id-1-yl)silane;bis(4-fluorophenol);zirconium(2+)?

The InChIKey is POFFMPAEDSEJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Si.2C6H5FO.Zr/c1-15-13-17-9-5-7-11-19(17)21(15)23(3,4)22-16(2)14-18-10-6-8-12-20(18)22;2*7-5-1-3-6(8)4-2-5;/h5-14H,1-4H3;2*1-4,8H;/q-2;;;+2.

What are the key properties of dimethyl-bis(2-methyl-3H-inden-3-id-1-yl)silane;bis(4-fluorophenol);zirconium(2+)?

dimethyl-bis(2-methyl-3H-inden-3-id-1-yl)silane;bis(4-fluorophenol);zirconium(2+) has a molecular weight of 629.93 g/mol, XLogP of 7.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-bis(2-methyl-3H-inden-3-id-1-yl)silane;bis(4-fluorophenol);zirconium(2+) is sourced from PubChem (CID 87777625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).