CID 173168918

C34H32Cl2SiZr-4 — CID 173168918

IUPAC—
SMILESCc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.[CH3-].[CH3-].[Cl-].[Cl-].[Si].[Zr+2]
InChIInChI=1S/2C16H13.2CH3.2ClH.Si.Zr/c2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;;;;;;/h2*2-11H,1H3;2*1H3;2*1H;;/q4*-1;;;;+2/p-2
InChIKeyPZWQMZIBMFMUME-UHFFFAOYSA-L
MW630.85 g/mol
LogP3.59
Rot. Bonds2

About CID 173168918

CID 173168918 (PubChem CID 173168918) has the molecular formula C34H32Cl2SiZr-4 and a molecular weight of 630.85 g/mol.

Molecular Properties

Compound NameCID 173168918
PubChem CID173168918
Molecular FormulaC34H32Cl2SiZr-4
Molecular Weight630.85 g/mol
Exact Mass628.07
IUPAC Name—
SMILESCc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.[CH3-].[CH3-].[Cl-].[Cl-].[Si].[Zr+2]
InChIInChI=1S/2C16H13.2CH3.2ClH.Si.Zr/c2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;;;;;;/h2*2-11H,1H3;2*1H3;2*1H;;/q4*-1;;;;+2/p-2
InChIKeyPZWQMZIBMFMUME-UHFFFAOYSA-L
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.85
LogP ≤ 53.59
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 173168918?
The IUPAC name of CID 173168918 (CID 173168918) is not available.
What is the SMILES notation for CID 173168918?
The canonical SMILES for CID 173168918 is Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.[CH3-].[CH3-].[Cl-].[Cl-].[Si].[Zr+2].
What is the InChIKey of CID 173168918?
The InChIKey is PZWQMZIBMFMUME-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H13.2CH3.2ClH.Si.Zr/c2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;;;;;;/h2*2-11H,1H3;2*1H3;2*1H;;/q4*-1;;;;+2/p-2.
What are the key properties of CID 173168918?
CID 173168918 has a molecular weight of 630.85 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173168918 is sourced from PubChem (CID 173168918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).