CID 158895682

C23H23Cl2SiZr — CID 158895682

IUPAC—
SMILESC[c-]1cccc1.[Cl-].[Cl-].[Zr+4].c1cc[cH-]c1.c1ccc([SiH]c2ccccc2)cc1
InChIInChI=1S/C12H11Si.C6H7.C5H5.2ClH.Zr/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6-4-2-3-5-6;1-2-4-5-3-1;;;/h1-10,13H;2-5H,1H3;1-5H;2*1H;/q;2*-1;;;+4/p-2
InChIKeyNBPLSQYTGRDLLI-UHFFFAOYSA-L
MW489.65 g/mol
LogP-1.80
Rot. Bonds2

About CID 158895682

CID 158895682 (PubChem CID 158895682) has the molecular formula C23H23Cl2SiZr and a molecular weight of 489.65 g/mol.

Molecular Properties

Compound NameCID 158895682
PubChem CID158895682
Molecular FormulaC23H23Cl2SiZr
Molecular Weight489.65 g/mol
Exact Mass487.00
IUPAC Name—
SMILESC[c-]1cccc1.[Cl-].[Cl-].[Zr+4].c1cc[cH-]c1.c1ccc([SiH]c2ccccc2)cc1
InChIInChI=1S/C12H11Si.C6H7.C5H5.2ClH.Zr/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6-4-2-3-5-6;1-2-4-5-3-1;;;/h1-10,13H;2-5H,1H3;1-5H;2*1H;/q;2*-1;;;+4/p-2
InChIKeyNBPLSQYTGRDLLI-UHFFFAOYSA-L
XLogP-1.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.65
LogP ≤ 5-1.80
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

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Frequently Asked Questions

What is the IUPAC name of CID 158895682?
The IUPAC name of CID 158895682 (CID 158895682) is not available.
What is the SMILES notation for CID 158895682?
The canonical SMILES for CID 158895682 is C[c-]1cccc1.[Cl-].[Cl-].[Zr+4].c1cc[cH-]c1.c1ccc([SiH]c2ccccc2)cc1.
What is the InChIKey of CID 158895682?
The InChIKey is NBPLSQYTGRDLLI-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H11Si.C6H7.C5H5.2ClH.Zr/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6-4-2-3-5-6;1-2-4-5-3-1;;;/h1-10,13H;2-5H,1H3;1-5H;2*1H;/q;2*-1;;;+4/p-2.
What are the key properties of CID 158895682?
CID 158895682 has a molecular weight of 489.65 g/mol, XLogP of -1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158895682 is sourced from PubChem (CID 158895682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).