CID 154493054

C28H25SiZr — CID 154493054

IUPAC—
SMILESC[SiH]C.[Zr+2].[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/2C13H9.C2H7Si.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-2;/h2*1-5,7-8H,9H2;3H,1-2H3;/q2*-1;;+2
InChIKeyGAAGOISIQIQEIV-UHFFFAOYSA-N
MW480.82 g/mol
LogP6.63
Rot. Bonds

About CID 154493054

CID 154493054 (PubChem CID 154493054) has the molecular formula C28H25SiZr and a molecular weight of 480.82 g/mol.

Molecular Properties

Compound NameCID 154493054
PubChem CID154493054
Molecular FormulaC28H25SiZr
Molecular Weight480.82 g/mol
Exact Mass479.08
IUPAC Name—
SMILESC[SiH]C.[Zr+2].[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/2C13H9.C2H7Si.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-2;/h2*1-5,7-8H,9H2;3H,1-2H3;/q2*-1;;+2
InChIKeyGAAGOISIQIQEIV-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.82
LogP ≤ 56.63
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 154493054?
The IUPAC name of CID 154493054 (CID 154493054) is not available.
What is the SMILES notation for CID 154493054?
The canonical SMILES for CID 154493054 is C[SiH]C.[Zr+2].[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of CID 154493054?
The InChIKey is GAAGOISIQIQEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9.C2H7Si.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-2;/h2*1-5,7-8H,9H2;3H,1-2H3;/q2*-1;;+2.
What are the key properties of CID 154493054?
CID 154493054 has a molecular weight of 480.82 g/mol, XLogP of 6.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154493054 is sourced from PubChem (CID 154493054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).