CID 173317705

C36H35Cl5Si2Zr — CID 173317705

IUPAC—
SMILESC[Si]CCC[Si](Cl)(Cl)Cl.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cl[Zr+2]Cl
InChIInChI=1S/2C16H13.C4H9Cl3Si2.2ClH.Zr/c2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-8-3-2-4-9(5,6)7;;;/h2*2-11H,1H3;2-4H2,1H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyARCLWONZPPQOKZ-UHFFFAOYSA-L
MW792.34 g/mol
LogP13.65
Rot. Bonds6

About CID 173317705

CID 173317705 (PubChem CID 173317705) has the molecular formula C36H35Cl5Si2Zr and a molecular weight of 792.34 g/mol.

Molecular Properties

Compound NameCID 173317705
PubChem CID173317705
Molecular FormulaC36H35Cl5Si2Zr
Molecular Weight792.34 g/mol
Exact Mass787.98
IUPAC Name—
SMILESC[Si]CCC[Si](Cl)(Cl)Cl.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cl[Zr+2]Cl
InChIInChI=1S/2C16H13.C4H9Cl3Si2.2ClH.Zr/c2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-8-3-2-4-9(5,6)7;;;/h2*2-11H,1H3;2-4H2,1H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyARCLWONZPPQOKZ-UHFFFAOYSA-L
XLogP13.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.34
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

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Frequently Asked Questions

What is the IUPAC name of CID 173317705?
The IUPAC name of CID 173317705 (CID 173317705) is not available.
What is the SMILES notation for CID 173317705?
The canonical SMILES for CID 173317705 is C[Si]CCC[Si](Cl)(Cl)Cl.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cl[Zr+2]Cl.
What is the InChIKey of CID 173317705?
The InChIKey is ARCLWONZPPQOKZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H13.C4H9Cl3Si2.2ClH.Zr/c2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-8-3-2-4-9(5,6)7;;;/h2*2-11H,1H3;2-4H2,1H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173317705?
CID 173317705 has a molecular weight of 792.34 g/mol, XLogP of 13.65, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173317705 is sourced from PubChem (CID 173317705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).