CID 173182424

C34H34SiZr — CID 173182424

IUPAC—
SMILESCc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[CH3-].[CH3-].[Zr+4].c1ccc([Si]c2ccccc2)cc1
InChIInChI=1S/C12H10Si.2C10H9.2CH3.Zr/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-8-6-9-4-2-3-5-10(9)7-8;;;/h1-10H;2*2-7H,1H3;2*1H3;/q;4*-1;+4
InChIKeyHQCGRDCSWWUVCR-UHFFFAOYSA-N
MW561.96 g/mol
LogP7.97
Rot. Bonds2

About CID 173182424

CID 173182424 (PubChem CID 173182424) has the molecular formula C34H34SiZr and a molecular weight of 561.96 g/mol.

Molecular Properties

Compound NameCID 173182424
PubChem CID173182424
Molecular FormulaC34H34SiZr
Molecular Weight561.96 g/mol
Exact Mass560.15
IUPAC Name—
SMILESCc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[CH3-].[CH3-].[Zr+4].c1ccc([Si]c2ccccc2)cc1
InChIInChI=1S/C12H10Si.2C10H9.2CH3.Zr/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-8-6-9-4-2-3-5-10(9)7-8;;;/h1-10H;2*2-7H,1H3;2*1H3;/q;4*-1;+4
InChIKeyHQCGRDCSWWUVCR-UHFFFAOYSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.96
LogP ≤ 57.97
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 173182424?
The IUPAC name of CID 173182424 (CID 173182424) is not available.
What is the SMILES notation for CID 173182424?
The canonical SMILES for CID 173182424 is Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[CH3-].[CH3-].[Zr+4].c1ccc([Si]c2ccccc2)cc1.
What is the InChIKey of CID 173182424?
The InChIKey is HQCGRDCSWWUVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Si.2C10H9.2CH3.Zr/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-8-6-9-4-2-3-5-10(9)7-8;;;/h1-10H;2*2-7H,1H3;2*1H3;/q;4*-1;+4.
What are the key properties of CID 173182424?
CID 173182424 has a molecular weight of 561.96 g/mol, XLogP of 7.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173182424 is sourced from PubChem (CID 173182424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).