CID 173266360

C32H30HfSi — CID 173266360

IUPAC—
SMILESC[Si]C.[Hf+4].[c-]1ccccc1.[c-]1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.2C6H5.C2H6Si.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-6-5-3-1;1-3-2;/h2*1-7H;2*1-5H;1-2H3;/q4*-1;;+4
InChIKeyRCRHQUFJYXEZNZ-UHFFFAOYSA-N
MW621.17 g/mol
LogP8.88
Rot. Bonds

About CID 173266360

CID 173266360 (PubChem CID 173266360) has the molecular formula C32H30HfSi and a molecular weight of 621.17 g/mol.

Molecular Properties

Compound NameCID 173266360
PubChem CID173266360
Molecular FormulaC32H30HfSi
Molecular Weight621.17 g/mol
Exact Mass622.16
IUPAC Name—
SMILESC[Si]C.[Hf+4].[c-]1ccccc1.[c-]1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.2C6H5.C2H6Si.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-6-5-3-1;1-3-2;/h2*1-7H;2*1-5H;1-2H3;/q4*-1;;+4
InChIKeyRCRHQUFJYXEZNZ-UHFFFAOYSA-N
XLogP8.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.17
LogP ≤ 58.88
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 173266360?
The IUPAC name of CID 173266360 (CID 173266360) is not available.
What is the SMILES notation for CID 173266360?
The canonical SMILES for CID 173266360 is C[Si]C.[Hf+4].[c-]1ccccc1.[c-]1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 173266360?
The InChIKey is RCRHQUFJYXEZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7.2C6H5.C2H6Si.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-6-5-3-1;1-3-2;/h2*1-7H;2*1-5H;1-2H3;/q4*-1;;+4.
What are the key properties of CID 173266360?
CID 173266360 has a molecular weight of 621.17 g/mol, XLogP of 8.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173266360 is sourced from PubChem (CID 173266360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).