[chloro(methyl)silylidene]zirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride

C19H17Cl3SiZr-2 — CID 160548859

IUPAC[chloro(methyl)silylidene]zirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride
SMILESC[Si](Cl)=[Zr+2].[Cl-].[Cl-].c1cc[cH-]c1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C5H5.CH3ClSi.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;1-3-2;;;/h1-9H;1-5H;1H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyYCWSWTWTZIKEDO-UHFFFAOYSA-L
MW471.01 g/mol
LogP0.02
Rot. Bonds

About [chloro(methyl)silylidene]zirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride

[chloro(methyl)silylidene]zirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride (PubChem CID 160548859) has the molecular formula C19H17Cl3SiZr-2 and a molecular weight of 471.01 g/mol. Its IUPAC name is [chloro(methyl)silylidene]zirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride.

Molecular Properties

Compound Name[chloro(methyl)silylidene]zirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride
PubChem CID160548859
Molecular FormulaC19H17Cl3SiZr-2
Molecular Weight471.01 g/mol
Exact Mass467.92
IUPAC Name[chloro(methyl)silylidene]zirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride
SMILESC[Si](Cl)=[Zr+2].[Cl-].[Cl-].c1cc[cH-]c1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C5H5.CH3ClSi.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;1-3-2;;;/h1-9H;1-5H;1H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyYCWSWTWTZIKEDO-UHFFFAOYSA-L
XLogP0.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.01
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclopenta-1,3-diene;dichloro(dimethylsilylidene)hafnium;9H-fluoren-9-ide
CID 174047741
CID 158536136
CID 158536136
cyclopenta-1,3-diene;9H-fluoren-9-ide;[[2-hydroxyethyl(dimethyl)silyl]-methylsilylidene]zirconium(2+);dichloride
CID 158703055
cyclopenta-1,3-diene;dichloro(methylidene)hafnium;9H-fluoren-9-ide
CID 174047756
cyclopenta-1,3-diene;9H-fluoren-9-ide;[methyl(3-trimethylsilyloxypropyl)silylidene]zirconium(2+);dichloride
CID 162005941
benzhydrylidenezirconium;cyclopenta-1,3-diene;9H-fluoren-9-ide;chloride
CID 159016680
benzhydrylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dihydrochloride
CID 172770329
CID 173225769
CID 173225769
ethane;bis(9H-fluoren-9-ide);zirconium(2+)
CID 23215639
CID 173104995
CID 173104995
bis(2,3-dimethyl-4H-indeno[2,1-b]pyrrol-4-ide);dimethylsilylidenezirconium(2+);dichloride
CID 162181422
dichloro(ethylidene)zirconium;bis(9H-fluoren-9-ide)
CID 87673225

Frequently Asked Questions

What is the IUPAC name of [chloro(methyl)silylidene]zirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride?
The IUPAC name of [chloro(methyl)silylidene]zirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride (CID 160548859) is [chloro(methyl)silylidene]zirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride.
What is the SMILES notation for [chloro(methyl)silylidene]zirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride?
The canonical SMILES for [chloro(methyl)silylidene]zirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride is C[Si](Cl)=[Zr+2].[Cl-].[Cl-].c1cc[cH-]c1.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of [chloro(methyl)silylidene]zirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride?
The InChIKey is YCWSWTWTZIKEDO-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C5H5.CH3ClSi.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;1-3-2;;;/h1-9H;1-5H;1H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of [chloro(methyl)silylidene]zirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride?
[chloro(methyl)silylidene]zirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride has a molecular weight of 471.01 g/mol, XLogP of 0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(methyl)silylidene]zirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride is sourced from PubChem (CID 160548859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).