CID 163404299

C24H22SiZr-4 — CID 163404299

IUPAC—
SMILES[CH3-].[CH3-].[Si]=[Zr].c1cc[cH-]c1.c1ccc2c(c1)ccc1[cH-]c3ccccc3c12
InChIInChI=1S/C17H11.C5H5.2CH3.Si.Zr/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)17(14)15;1-2-4-5-3-1;;;;/h1-11H;1-5H;2*1H3;;/q4*-1;;
InChIKeyQBXSXRJHOBXKOX-UHFFFAOYSA-N
MW429.75 g/mol
LogP6.79
Rot. Bonds

About CID 163404299

CID 163404299 (PubChem CID 163404299) has the molecular formula C24H22SiZr-4 and a molecular weight of 429.75 g/mol.

Molecular Properties

Compound NameCID 163404299
PubChem CID163404299
Molecular FormulaC24H22SiZr-4
Molecular Weight429.75 g/mol
Exact Mass428.06
IUPAC Name—
SMILES[CH3-].[CH3-].[Si]=[Zr].c1cc[cH-]c1.c1ccc2c(c1)ccc1[cH-]c3ccccc3c12
InChIInChI=1S/C17H11.C5H5.2CH3.Si.Zr/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)17(14)15;1-2-4-5-3-1;;;;/h1-11H;1-5H;2*1H3;;/q4*-1;;
InChIKeyQBXSXRJHOBXKOX-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.75
LogP ≤ 56.79
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 163404299?
The IUPAC name of CID 163404299 (CID 163404299) is not available.
What is the SMILES notation for CID 163404299?
The canonical SMILES for CID 163404299 is [CH3-].[CH3-].[Si]=[Zr].c1cc[cH-]c1.c1ccc2c(c1)ccc1[cH-]c3ccccc3c12.
What is the InChIKey of CID 163404299?
The InChIKey is QBXSXRJHOBXKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11.C5H5.2CH3.Si.Zr/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)17(14)15;1-2-4-5-3-1;;;;/h1-11H;1-5H;2*1H3;;/q4*-1;;.
What are the key properties of CID 163404299?
CID 163404299 has a molecular weight of 429.75 g/mol, XLogP of 6.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163404299 is sourced from PubChem (CID 163404299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).