CID 173229306

C44H42HfSi — CID 173229306

IUPAC—
SMILESC[Si]C.[CH3-].[CH3-].[Hf+4].c1ccc2[cH-]c(Cc3cccc4ccccc34)cc2c1.c1ccc2[cH-]c(Cc3cccc4ccccc34)cc2c1
InChIInChI=1S/2C20H15.C2H6Si.2CH3.Hf/c2*1-2-8-18-13-15(12-17(18)7-1)14-19-10-5-9-16-6-3-4-11-20(16)19;1-3-2;;;/h2*1-13H,14H2;1-2H3;2*1H3;/q2*-1;;2*-1;+4
InChIKeyHDWLZYYNEMJDEI-UHFFFAOYSA-N
MW777.40 g/mol
LogP12.29
Rot. Bonds4

About CID 173229306

CID 173229306 (PubChem CID 173229306) has the molecular formula C44H42HfSi and a molecular weight of 777.40 g/mol.

Molecular Properties

Compound NameCID 173229306
PubChem CID173229306
Molecular FormulaC44H42HfSi
Molecular Weight777.40 g/mol
Exact Mass778.25
IUPAC Name—
SMILESC[Si]C.[CH3-].[CH3-].[Hf+4].c1ccc2[cH-]c(Cc3cccc4ccccc34)cc2c1.c1ccc2[cH-]c(Cc3cccc4ccccc34)cc2c1
InChIInChI=1S/2C20H15.C2H6Si.2CH3.Hf/c2*1-2-8-18-13-15(12-17(18)7-1)14-19-10-5-9-16-6-3-4-11-20(16)19;1-3-2;;;/h2*1-13H,14H2;1-2H3;2*1H3;/q2*-1;;2*-1;+4
InChIKeyHDWLZYYNEMJDEI-UHFFFAOYSA-N
XLogP12.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.40
LogP ≤ 512.29
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 173229306?
The IUPAC name of CID 173229306 (CID 173229306) is not available.
What is the SMILES notation for CID 173229306?
The canonical SMILES for CID 173229306 is C[Si]C.[CH3-].[CH3-].[Hf+4].c1ccc2[cH-]c(Cc3cccc4ccccc34)cc2c1.c1ccc2[cH-]c(Cc3cccc4ccccc34)cc2c1.
What is the InChIKey of CID 173229306?
The InChIKey is HDWLZYYNEMJDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H15.C2H6Si.2CH3.Hf/c2*1-2-8-18-13-15(12-17(18)7-1)14-19-10-5-9-16-6-3-4-11-20(16)19;1-3-2;;;/h2*1-13H,14H2;1-2H3;2*1H3;/q2*-1;;2*-1;+4.
What are the key properties of CID 173229306?
CID 173229306 has a molecular weight of 777.40 g/mol, XLogP of 12.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173229306 is sourced from PubChem (CID 173229306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).