CID 173338562

C22H21BrHfSi-3 — CID 173338562

IUPAC—
SMILES[Br-].[C-]1=CC=CC1.[C-]1=CC=CC1.[Hf].c1ccc([SiH]c2ccccc2)cc1
InChIInChI=1S/C12H11Si.2C5H5.BrH.Hf/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-4-5-3-1;;/h1-10,13H;2*1-3H,4H2;1H;/q;2*-1;;/p-1
InChIKeyOZLOOJOEINKWBE-UHFFFAOYSA-M
MW571.89 g/mol
LogP0.69
Rot. Bonds2

About CID 173338562

CID 173338562 (PubChem CID 173338562) has the molecular formula C22H21BrHfSi-3 and a molecular weight of 571.89 g/mol.

Molecular Properties

Compound NameCID 173338562
PubChem CID173338562
Molecular FormulaC22H21BrHfSi-3
Molecular Weight571.89 g/mol
Exact Mass572.01
IUPAC Name—
SMILES[Br-].[C-]1=CC=CC1.[C-]1=CC=CC1.[Hf].c1ccc([SiH]c2ccccc2)cc1
InChIInChI=1S/C12H11Si.2C5H5.BrH.Hf/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-4-5-3-1;;/h1-10,13H;2*1-3H,4H2;1H;/q;2*-1;;/p-1
InChIKeyOZLOOJOEINKWBE-UHFFFAOYSA-M
XLogP0.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.89
LogP ≤ 50.69
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'}

Analyze CID 173338562 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(1,1'-biphenyl);cyclopenta-1,3-diene;iron
CID 173207547
1,1'-biphenyl;bis(cyclopenta-1,3-diene);zirconium(2+)
CID 158996763
bis(cyclopenta-1,3-diene);naphthalene;nickel(2+)
CID 174807203
bis(cyclopenta-1,3-diene);hafnium;hydride;methanidylbenzene
CID 173319869
benzene;cyclopenta-1,3-diene;manganese
CID 67644722
CID 22023634
CID 22023634
bromobenzene;cyclopenta-1,3-diene;zirconium
CID 174293313
CID 172827206
CID 172827206
benzene;cyclopenta-1,3-diene;titanium;dihydrochloride
CID 174656990
bis(cyclopenta-1,3-diene);hafnium;hydrochloride
CID 87593145
cyclopenta-1,3-diene;phenol;titanium;hydrochloride
CID 173190949
cyclopenta-1,3-diene;phenol;titanium;chloride
CID 19734747

Frequently Asked Questions

What is the IUPAC name of CID 173338562?
The IUPAC name of CID 173338562 (CID 173338562) is not available.
What is the SMILES notation for CID 173338562?
The canonical SMILES for CID 173338562 is [Br-].[C-]1=CC=CC1.[C-]1=CC=CC1.[Hf].c1ccc([SiH]c2ccccc2)cc1.
What is the InChIKey of CID 173338562?
The InChIKey is OZLOOJOEINKWBE-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11Si.2C5H5.BrH.Hf/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-4-5-3-1;;/h1-10,13H;2*1-3H,4H2;1H;/q;2*-1;;/p-1.
What are the key properties of CID 173338562?
CID 173338562 has a molecular weight of 571.89 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173338562 is sourced from PubChem (CID 173338562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).