CID 173309893

C44H32Cl2Hf2Si2-6 — CID 173309893

IUPAC—
SMILES[Cl-].[Cl-].[Hf].[Hf].[Si].[Si].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2c(c1)[cH-]c1ccccc12.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/2C13H9.2C9H7.2ClH.2Hf.2Si/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2-5-9-7-3-6-8(9)4-1;;;;;;/h2*1-9H;2*1-7H;2*1H;;;;/q4*-1;;;;;;/p-2
InChIKeyBLMQIQMPDOVCTF-UHFFFAOYSA-L
MW1044.80 g/mol
LogP5.78
Rot. Bonds

About CID 173309893

CID 173309893 (PubChem CID 173309893) has the molecular formula C44H32Cl2Hf2Si2-6 and a molecular weight of 1044.80 g/mol.

Molecular Properties

Compound NameCID 173309893
PubChem CID173309893
Molecular FormulaC44H32Cl2Hf2Si2-6
Molecular Weight1044.80 g/mol
Exact Mass1046.04
IUPAC Name—
SMILES[Cl-].[Cl-].[Hf].[Hf].[Si].[Si].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2c(c1)[cH-]c1ccccc12.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/2C13H9.2C9H7.2ClH.2Hf.2Si/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2-5-9-7-3-6-8(9)4-1;;;;;;/h2*1-9H;2*1-7H;2*1H;;;;/q4*-1;;;;;;/p-2
InChIKeyBLMQIQMPDOVCTF-UHFFFAOYSA-L
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001044.80
LogP ≤ 55.78
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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CID 173237214
CID 173237214

Frequently Asked Questions

What is the IUPAC name of CID 173309893?
The IUPAC name of CID 173309893 (CID 173309893) is not available.
What is the SMILES notation for CID 173309893?
The canonical SMILES for CID 173309893 is [Cl-].[Cl-].[Hf].[Hf].[Si].[Si].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2c(c1)[cH-]c1ccccc12.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of CID 173309893?
The InChIKey is BLMQIQMPDOVCTF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H9.2C9H7.2ClH.2Hf.2Si/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2-5-9-7-3-6-8(9)4-1;;;;;;/h2*1-9H;2*1-7H;2*1H;;;;/q4*-1;;;;;;/p-2.
What are the key properties of CID 173309893?
CID 173309893 has a molecular weight of 1044.80 g/mol, XLogP of 5.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173309893 is sourced from PubChem (CID 173309893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).