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

C34H32F2O2SiZr — CID 87777625

IUPACdimethyl-bis(2-methyl-3H-inden-3-id-1-yl)silane;bis(4-fluorophenol);zirconium(2+)
SMILESCc1[cH-]c2ccccc2c1[Si](C)(C)c1c(C)[cH-]c2ccccc12.Oc1ccc(F)cc1.Oc1ccc(F)cc1.[Zr+2]
InChIInChI=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
InChIKeyPOFFMPAEDSEJGM-UHFFFAOYSA-N
MW629.93 g/mol
LogP7.93
Rot. Bonds2

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 Namedimethyl-bis(2-methyl-3H-inden-3-id-1-yl)silane;bis(4-fluorophenol);zirconium(2+)
PubChem CID87777625
Molecular FormulaC34H32F2O2SiZr
Molecular Weight629.93 g/mol
Exact Mass628.12
IUPAC Namedimethyl-bis(2-methyl-3H-inden-3-id-1-yl)silane;bis(4-fluorophenol);zirconium(2+)
SMILESCc1[cH-]c2ccccc2c1[Si](C)(C)c1c(C)[cH-]c2ccccc12.Oc1ccc(F)cc1.Oc1ccc(F)cc1.[Zr+2]
InChIInChI=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
InChIKeyPOFFMPAEDSEJGM-UHFFFAOYSA-N
XLogP7.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.93
LogP ≤ 57.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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).