CID 173263371

C34H34SiZr — CID 173263371

IUPAC—
SMILESC[Si]c1ccccc1.Cc1cc2ccccc2[cH-]1.[CH3-].[CH3-].[Zr+4].c1ccc(-c2cccc3[cH-]ccc23)cc1
InChIInChI=1S/C15H11.C10H9.C7H8Si.2CH3.Zr/c1-2-6-12(7-3-1)14-10-4-8-13-9-5-11-15(13)14;1-8-6-9-4-2-3-5-10(9)7-8;1-8-7-5-3-2-4-6-7;;;/h1-11H;2-7H,1H3;2-6H,1H3;2*1H3;/q2*-1;;2*-1;+4
InChIKeyVKENNJZGAVEPIK-UHFFFAOYSA-N
MW561.96 g/mol
LogP9.06
Rot. Bonds2

About CID 173263371

CID 173263371 (PubChem CID 173263371) has the molecular formula C34H34SiZr and a molecular weight of 561.96 g/mol.

Molecular Properties

Compound NameCID 173263371
PubChem CID173263371
Molecular FormulaC34H34SiZr
Molecular Weight561.96 g/mol
Exact Mass560.15
IUPAC Name—
SMILESC[Si]c1ccccc1.Cc1cc2ccccc2[cH-]1.[CH3-].[CH3-].[Zr+4].c1ccc(-c2cccc3[cH-]ccc23)cc1
InChIInChI=1S/C15H11.C10H9.C7H8Si.2CH3.Zr/c1-2-6-12(7-3-1)14-10-4-8-13-9-5-11-15(13)14;1-8-6-9-4-2-3-5-10(9)7-8;1-8-7-5-3-2-4-6-7;;;/h1-11H;2-7H,1H3;2-6H,1H3;2*1H3;/q2*-1;;2*-1;+4
InChIKeyVKENNJZGAVEPIK-UHFFFAOYSA-N
XLogP9.06
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 ≤ 59.06
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

2-methyl-1H-inden-1-ide;4-phenyl-1H-inden-1-ide;propan-2-ylidenezirconium(2+);dichloride
CID 18369877
CID 150666493
CID 150666493
bis(1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 23369269
CID 173182424
CID 173182424
CID 173192733
CID 173192733
CID 173266362
CID 173266362
hafnium;2-methyl-4-phenyl-1H-inden-1-ide
CID 154081664
CID 173317264
CID 173317264
CID 173337857
CID 173337857
CID 173168918
CID 173168918
dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide
CID 173091185
tris(dimethylsilylidenezirconium(2+));bis(2-methyl-1H-inden-1-ide);bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-4-phenyl-1H-inden-1-ide);tetrahydrochloride
CID 172741772

Frequently Asked Questions

What is the IUPAC name of CID 173263371?
The IUPAC name of CID 173263371 (CID 173263371) is not available.
What is the SMILES notation for CID 173263371?
The canonical SMILES for CID 173263371 is C[Si]c1ccccc1.Cc1cc2ccccc2[cH-]1.[CH3-].[CH3-].[Zr+4].c1ccc(-c2cccc3[cH-]ccc23)cc1.
What is the InChIKey of CID 173263371?
The InChIKey is VKENNJZGAVEPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11.C10H9.C7H8Si.2CH3.Zr/c1-2-6-12(7-3-1)14-10-4-8-13-9-5-11-15(13)14;1-8-6-9-4-2-3-5-10(9)7-8;1-8-7-5-3-2-4-6-7;;;/h1-11H;2-7H,1H3;2-6H,1H3;2*1H3;/q2*-1;;2*-1;+4.
What are the key properties of CID 173263371?
CID 173263371 has a molecular weight of 561.96 g/mol, XLogP of 9.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173263371 is sourced from PubChem (CID 173263371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).