CID 173391812

C18H23Cl2HfSi-2 — CID 173391812

IUPAC—
SMILESC[SiH]C.Cl.Cl.[C-]1=C(c2ccccc2)C=CC1.[C-]1=CC=CC1.[Hf]
InChIInChI=1S/C11H9.C5H5.C2H7Si.2ClH.Hf/c1-2-6-10(7-3-1)11-8-4-5-9-11;1-2-4-5-3-1;1-3-2;;;/h1-4,6-8H,5H2;1-3H,4H2;3H,1-2H3;2*1H;/q2*-1;;;;
InChIKeyUSASMRTVIZXGPY-UHFFFAOYSA-N
MW516.86 g/mol
LogP5.50
Rot. Bonds1

About CID 173391812

CID 173391812 (PubChem CID 173391812) has the molecular formula C18H23Cl2HfSi-2 and a molecular weight of 516.86 g/mol.

Molecular Properties

Compound NameCID 173391812
PubChem CID173391812
Molecular FormulaC18H23Cl2HfSi-2
Molecular Weight516.86 g/mol
Exact Mass517.04
IUPAC Name—
SMILESC[SiH]C.Cl.Cl.[C-]1=C(c2ccccc2)C=CC1.[C-]1=CC=CC1.[Hf]
InChIInChI=1S/C11H9.C5H5.C2H7Si.2ClH.Hf/c1-2-6-10(7-3-1)11-8-4-5-9-11;1-2-4-5-3-1;1-3-2;;;/h1-4,6-8H,5H2;1-3H,4H2;3H,1-2H3;2*1H;/q2*-1;;;;
InChIKeyUSASMRTVIZXGPY-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.86
LogP ≤ 55.50
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 173391812?
The IUPAC name of CID 173391812 (CID 173391812) is not available.
What is the SMILES notation for CID 173391812?
The canonical SMILES for CID 173391812 is C[SiH]C.Cl.Cl.[C-]1=C(c2ccccc2)C=CC1.[C-]1=CC=CC1.[Hf].
What is the InChIKey of CID 173391812?
The InChIKey is USASMRTVIZXGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9.C5H5.C2H7Si.2ClH.Hf/c1-2-6-10(7-3-1)11-8-4-5-9-11;1-2-4-5-3-1;1-3-2;;;/h1-4,6-8H,5H2;1-3H,4H2;3H,1-2H3;2*1H;/q2*-1;;;;.
What are the key properties of CID 173391812?
CID 173391812 has a molecular weight of 516.86 g/mol, XLogP of 5.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173391812 is sourced from PubChem (CID 173391812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).