2,3,4,5-tetrachloro-6-triphenylsilyloxyiminocyclohexa-2,4-dien-1-one

C24H15Cl4NO2Si — CID 88531776

IUPAC2,3,4,5-tetrachloro-6-triphenylsilyloxyiminocyclohexa-2,4-dien-1-one
SMILESO=C1C(=NO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C(Cl)=C(Cl)C(Cl)=C1Cl
InChIInChI=1S/C24H15Cl4NO2Si/c25-19-20(26)22(28)24(30)23(21(19)27)29-31-32(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyAHNFIYPZQFCBEU-UHFFFAOYSA-N
MW519.29 g/mol
LogP4.99
Rot. Bonds5

About 2,3,4,5-tetrachloro-6-triphenylsilyloxyiminocyclohexa-2,4-dien-1-one

2,3,4,5-tetrachloro-6-triphenylsilyloxyiminocyclohexa-2,4-dien-1-one (PubChem CID 88531776) has the molecular formula C24H15Cl4NO2Si and a molecular weight of 519.29 g/mol. Its IUPAC name is 2,3,4,5-tetrachloro-6-triphenylsilyloxyiminocyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name2,3,4,5-tetrachloro-6-triphenylsilyloxyiminocyclohexa-2,4-dien-1-one
PubChem CID88531776
Molecular FormulaC24H15Cl4NO2Si
Molecular Weight519.29 g/mol
Exact Mass516.96
IUPAC Name2,3,4,5-tetrachloro-6-triphenylsilyloxyiminocyclohexa-2,4-dien-1-one
SMILESO=C1C(=NO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C(Cl)=C(Cl)C(Cl)=C1Cl
InChIInChI=1S/C24H15Cl4NO2Si/c25-19-20(26)22(28)24(30)23(21(19)27)29-31-32(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyAHNFIYPZQFCBEU-UHFFFAOYSA-N
XLogP4.99
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.29
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrachloro-6-triphenylsilyloxyiminocyclohexa-2,4-dien-1-one?
The IUPAC name of 2,3,4,5-tetrachloro-6-triphenylsilyloxyiminocyclohexa-2,4-dien-1-one (CID 88531776) is 2,3,4,5-tetrachloro-6-triphenylsilyloxyiminocyclohexa-2,4-dien-1-one.
What is the SMILES notation for 2,3,4,5-tetrachloro-6-triphenylsilyloxyiminocyclohexa-2,4-dien-1-one?
The canonical SMILES for 2,3,4,5-tetrachloro-6-triphenylsilyloxyiminocyclohexa-2,4-dien-1-one is O=C1C(=NO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C(Cl)=C(Cl)C(Cl)=C1Cl.
What is the InChIKey of 2,3,4,5-tetrachloro-6-triphenylsilyloxyiminocyclohexa-2,4-dien-1-one?
The InChIKey is AHNFIYPZQFCBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl4NO2Si/c25-19-20(26)22(28)24(30)23(21(19)27)29-31-32(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H.
What are the key properties of 2,3,4,5-tetrachloro-6-triphenylsilyloxyiminocyclohexa-2,4-dien-1-one?
2,3,4,5-tetrachloro-6-triphenylsilyloxyiminocyclohexa-2,4-dien-1-one has a molecular weight of 519.29 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrachloro-6-triphenylsilyloxyiminocyclohexa-2,4-dien-1-one is sourced from PubChem (CID 88531776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).