CID 87140143

C21H24Cl2SiZr-4 — CID 87140143

IUPAC—
SMILESCC1=CC[C-]=C1.Cl.Cl.[CH3-].[CH3-].[Si]=[Zr].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C6H7.2CH3.2ClH.Si.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-4-2-3-5-6;;;;;;/h1-9H;4-5H,2H2,1H3;2*1H3;2*1H;;/q4*-1;;;;
InChIKeyXFNQEBAGZDIPRN-UHFFFAOYSA-N
MW466.64 g/mol
LogP6.77
Rot. Bonds

About CID 87140143

CID 87140143 (PubChem CID 87140143) has the molecular formula C21H24Cl2SiZr-4 and a molecular weight of 466.64 g/mol.

Molecular Properties

Compound NameCID 87140143
PubChem CID87140143
Molecular FormulaC21H24Cl2SiZr-4
Molecular Weight466.64 g/mol
Exact Mass464.01
IUPAC Name—
SMILESCC1=CC[C-]=C1.Cl.Cl.[CH3-].[CH3-].[Si]=[Zr].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C6H7.2CH3.2ClH.Si.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-4-2-3-5-6;;;;;;/h1-9H;4-5H,2H2,1H3;2*1H3;2*1H;;/q4*-1;;;;
InChIKeyXFNQEBAGZDIPRN-UHFFFAOYSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.64
LogP ≤ 56.77
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'}

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Related Compounds

CID 87140376
CID 87140376
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bis(9H-fluoren-9-ide);bis(2-propan-2-ylcyclopenta-1,3-diene);bis(titanium(2+));dichloride
CID 23084331
benzhydrylidenezirconium;carbanide;2-ethylcyclopenta-1,3-diene;9H-fluoren-9-ide
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CID 87936014
dimethylgermylidenezirconium(2+);2-methylcyclopenta-1,3-diene;2-methyl-1H-inden-1-ide;dichloride
CID 21261397
cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;propan-2-ylidenezirconium(2+);dichloride
CID 87141014
bis(benzhydrylidenezirconium(2+));bis(cyclopenta-1,4-dien-1-ylbenzene);bis(9H-fluoren-9-ide);dichloride
CID 22910387
ethane;bis(9H-fluoren-9-ide);zirconium(2+)
CID 23215639
benzhydrylidenezirconium(2+);2-ethylcyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride
CID 87109309
bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride
CID 173079005
benzhydrylidenetitanium(2+);bis(2-methylcyclopenta-1,3-diene);dichloride
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Frequently Asked Questions

What is the IUPAC name of CID 87140143?
The IUPAC name of CID 87140143 (CID 87140143) is not available.
What is the SMILES notation for CID 87140143?
The canonical SMILES for CID 87140143 is CC1=CC[C-]=C1.Cl.Cl.[CH3-].[CH3-].[Si]=[Zr].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of CID 87140143?
The InChIKey is XFNQEBAGZDIPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.C6H7.2CH3.2ClH.Si.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-4-2-3-5-6;;;;;;/h1-9H;4-5H,2H2,1H3;2*1H3;2*1H;;/q4*-1;;;;.
What are the key properties of CID 87140143?
CID 87140143 has a molecular weight of 466.64 g/mol, XLogP of 6.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87140143 is sourced from PubChem (CID 87140143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).