CID 173020182

C40H40Cl2Hf2Si2-6 — CID 173020182

IUPAC—
SMILESC[Si]C.C[Si]C.[Cl-].[Cl-].[Hf].[Hf].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/4C9H7.2C2H6Si.2ClH.2Hf/c4*1-2-5-9-7-3-6-8(9)4-1;2*1-3-2;;;;/h4*1-7H;2*1-2H3;2*1H;;/q4*-1;;;;;;/p-2
InChIKeyZGXBCXXJPGVSLA-UHFFFAOYSA-L
MW1004.82 g/mol
LogP5.81
Rot. Bonds

About CID 173020182

CID 173020182 (PubChem CID 173020182) has the molecular formula C40H40Cl2Hf2Si2-6 and a molecular weight of 1004.82 g/mol.

Molecular Properties

Compound NameCID 173020182
PubChem CID173020182
Molecular FormulaC40H40Cl2Hf2Si2-6
Molecular Weight1004.82 g/mol
Exact Mass1006.10
IUPAC Name—
SMILESC[Si]C.C[Si]C.[Cl-].[Cl-].[Hf].[Hf].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/4C9H7.2C2H6Si.2ClH.2Hf/c4*1-2-5-9-7-3-6-8(9)4-1;2*1-3-2;;;;/h4*1-7H;2*1-2H3;2*1H;;/q4*-1;;;;;;/p-2
InChIKeyZGXBCXXJPGVSLA-UHFFFAOYSA-L
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001004.82
LogP ≤ 55.81
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 173020182?
The IUPAC name of CID 173020182 (CID 173020182) is not available.
What is the SMILES notation for CID 173020182?
The canonical SMILES for CID 173020182 is C[Si]C.C[Si]C.[Cl-].[Cl-].[Hf].[Hf].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 173020182?
The InChIKey is ZGXBCXXJPGVSLA-UHFFFAOYSA-L. The full InChI is InChI=1S/4C9H7.2C2H6Si.2ClH.2Hf/c4*1-2-5-9-7-3-6-8(9)4-1;2*1-3-2;;;;/h4*1-7H;2*1-2H3;2*1H;;/q4*-1;;;;;;/p-2.
What are the key properties of CID 173020182?
CID 173020182 has a molecular weight of 1004.82 g/mol, XLogP of 5.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173020182 is sourced from PubChem (CID 173020182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).