CID 173063857

C42H38Cl2HfSi-2 — CID 173063857

IUPAC—
SMILESC[Si]C.Cc1[cH-]c2ccccc2c1-c1cccc2ccccc12.Cc1[cH-]c2ccccc2c1-c1cccc2ccccc12.Cl.Cl.[Hf]
InChIInChI=1S/2C20H15.C2H6Si.2ClH.Hf/c2*1-14-13-16-8-3-5-11-18(16)20(14)19-12-6-9-15-7-2-4-10-17(15)19;1-3-2;;;/h2*2-13H,1H3;1-2H3;2*1H;/q2*-1;;;;
InChIKeyVWXUZOVVQVWYQD-UHFFFAOYSA-N
MW820.25 g/mol
LogP13.00
Rot. Bonds2

About CID 173063857

CID 173063857 (PubChem CID 173063857) has the molecular formula C42H38Cl2HfSi-2 and a molecular weight of 820.25 g/mol.

Molecular Properties

Compound NameCID 173063857
PubChem CID173063857
Molecular FormulaC42H38Cl2HfSi-2
Molecular Weight820.25 g/mol
Exact Mass820.16
IUPAC Name—
SMILESC[Si]C.Cc1[cH-]c2ccccc2c1-c1cccc2ccccc12.Cc1[cH-]c2ccccc2c1-c1cccc2ccccc12.Cl.Cl.[Hf]
InChIInChI=1S/2C20H15.C2H6Si.2ClH.Hf/c2*1-14-13-16-8-3-5-11-18(16)20(14)19-12-6-9-15-7-2-4-10-17(15)19;1-3-2;;;/h2*2-13H,1H3;1-2H3;2*1H;/q2*-1;;;;
InChIKeyVWXUZOVVQVWYQD-UHFFFAOYSA-N
XLogP13.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.25
LogP ≤ 513.00
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 173063857?
The IUPAC name of CID 173063857 (CID 173063857) is not available.
What is the SMILES notation for CID 173063857?
The canonical SMILES for CID 173063857 is C[Si]C.Cc1[cH-]c2ccccc2c1-c1cccc2ccccc12.Cc1[cH-]c2ccccc2c1-c1cccc2ccccc12.Cl.Cl.[Hf].
What is the InChIKey of CID 173063857?
The InChIKey is VWXUZOVVQVWYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H15.C2H6Si.2ClH.Hf/c2*1-14-13-16-8-3-5-11-18(16)20(14)19-12-6-9-15-7-2-4-10-17(15)19;1-3-2;;;/h2*2-13H,1H3;1-2H3;2*1H;/q2*-1;;;;.
What are the key properties of CID 173063857?
CID 173063857 has a molecular weight of 820.25 g/mol, XLogP of 13.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173063857 is sourced from PubChem (CID 173063857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).