CID 173020208

C23H25SiZr — CID 173020208

IUPAC—
SMILESCCC[Si].Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Zr+2]
InChIInChI=1S/2C10H9.C3H7Si.Zr/c2*1-8-6-9-4-2-3-5-10(9)7-8;1-2-3-4;/h2*2-7H,1H3;2-3H2,1H3;/q2*-1;;+2
InChIKeyLHIVAZJCRJDICC-UHFFFAOYSA-N
MW420.76 g/mol
LogP6.71
Rot. Bonds1

About CID 173020208

CID 173020208 (PubChem CID 173020208) has the molecular formula C23H25SiZr and a molecular weight of 420.76 g/mol.

Molecular Properties

Compound NameCID 173020208
PubChem CID173020208
Molecular FormulaC23H25SiZr
Molecular Weight420.76 g/mol
Exact Mass419.08
IUPAC Name—
SMILESCCC[Si].Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Zr+2]
InChIInChI=1S/2C10H9.C3H7Si.Zr/c2*1-8-6-9-4-2-3-5-10(9)7-8;1-2-3-4;/h2*2-7H,1H3;2-3H2,1H3;/q2*-1;;+2
InChIKeyLHIVAZJCRJDICC-UHFFFAOYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.76
LogP ≤ 56.71
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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Frequently Asked Questions

What is the IUPAC name of CID 173020208?
The IUPAC name of CID 173020208 (CID 173020208) is not available.
What is the SMILES notation for CID 173020208?
The canonical SMILES for CID 173020208 is CCC[Si].Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Zr+2].
What is the InChIKey of CID 173020208?
The InChIKey is LHIVAZJCRJDICC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9.C3H7Si.Zr/c2*1-8-6-9-4-2-3-5-10(9)7-8;1-2-3-4;/h2*2-7H,1H3;2-3H2,1H3;/q2*-1;;+2.
What are the key properties of CID 173020208?
CID 173020208 has a molecular weight of 420.76 g/mol, XLogP of 6.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173020208 is sourced from PubChem (CID 173020208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).