CID 157172854

C25H24HfSi-3 — CID 157172854

IUPAC—
SMILES[CH3-].[Hf].[SiH2]c1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C6H7Si.CH3.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;7-6-4-2-1-3-5-6;;/h2*1-7H;1-5H,7H2;1H3;/q2*-1;;-1;
InChIKeyYPGCDBAXZKHKPT-UHFFFAOYSA-N
MW531.04 g/mol
LogP5.51
Rot. Bonds

About CID 157172854

CID 157172854 (PubChem CID 157172854) has the molecular formula C25H24HfSi-3 and a molecular weight of 531.04 g/mol.

Molecular Properties

Compound NameCID 157172854
PubChem CID157172854
Molecular FormulaC25H24HfSi-3
Molecular Weight531.04 g/mol
Exact Mass532.11
IUPAC Name—
SMILES[CH3-].[Hf].[SiH2]c1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C6H7Si.CH3.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;7-6-4-2-1-3-5-6;;/h2*1-7H;1-5H,7H2;1H3;/q2*-1;;-1;
InChIKeyYPGCDBAXZKHKPT-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.04
LogP ≤ 55.51
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 157172854?
The IUPAC name of CID 157172854 (CID 157172854) is not available.
What is the SMILES notation for CID 157172854?
The canonical SMILES for CID 157172854 is [CH3-].[Hf].[SiH2]c1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 157172854?
The InChIKey is YPGCDBAXZKHKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7.C6H7Si.CH3.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;7-6-4-2-1-3-5-6;;/h2*1-7H;1-5H,7H2;1H3;/q2*-1;;-1;.
What are the key properties of CID 157172854?
CID 157172854 has a molecular weight of 531.04 g/mol, XLogP of 5.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157172854 is sourced from PubChem (CID 157172854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).