4-tris(4-carbonochloridoylphenyl)silylbenzoyl chloride

C28H16Cl4O4Si — CID 102443939

IUPAC4-tris(4-carbonochloridoylphenyl)silylbenzoyl chloride
SMILESO=C(Cl)c1ccc([Si](c2ccc(C(=O)Cl)cc2)(c2ccc(C(=O)Cl)cc2)c2ccc(C(=O)Cl)cc2)cc1
InChIInChI=1S/C28H16Cl4O4Si/c29-25(33)17-1-9-21(10-2-17)37(22-11-3-18(4-12-22)26(30)34,23-13-5-19(6-14-23)27(31)35)24-15-7-20(8-16-24)28(32)36/h1-16H
InChIKeyQRBPHJWYUJYRBJ-UHFFFAOYSA-N
MW586.33 g/mol
LogP4.58
Rot. Bonds8

About 4-tris(4-carbonochloridoylphenyl)silylbenzoyl chloride

4-tris(4-carbonochloridoylphenyl)silylbenzoyl chloride (PubChem CID 102443939) has the molecular formula C28H16Cl4O4Si and a molecular weight of 586.33 g/mol. Its IUPAC name is 4-tris(4-carbonochloridoylphenyl)silylbenzoyl chloride.

Molecular Properties

Compound Name4-tris(4-carbonochloridoylphenyl)silylbenzoyl chloride
PubChem CID102443939
Molecular FormulaC28H16Cl4O4Si
Molecular Weight586.33 g/mol
Exact Mass583.96
IUPAC Name4-tris(4-carbonochloridoylphenyl)silylbenzoyl chloride
SMILESO=C(Cl)c1ccc([Si](c2ccc(C(=O)Cl)cc2)(c2ccc(C(=O)Cl)cc2)c2ccc(C(=O)Cl)cc2)cc1
InChIInChI=1S/C28H16Cl4O4Si/c29-25(33)17-1-9-21(10-2-17)37(22-11-3-18(4-12-22)26(30)34,23-13-5-19(6-14-23)27(31)35)24-15-7-20(8-16-24)28(32)36/h1-16H
InChIKeyQRBPHJWYUJYRBJ-UHFFFAOYSA-N
XLogP4.58
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.33
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[(4-carbonochloridoylphenyl)-diethylsilyl]benzoyl chloride
CID 101491677
1-[4-tris(4-acetylphenyl)silylphenyl]ethanone
CID 149009059
4-carbonochloridoylbenzenecarbothioic S-acid
CID 11112864
4-methylbenzoyl chloride
CID 13405
CID 11070855
CID 11070855
4-(1-fluoroethyl)benzoyl chloride
CID 83854431
benzoyl chloride;selane
CID 174449470
4-(2-hydroxyacetyl)benzoyl chloride
CID 89280551
4-(4-hydroxyphenyl)benzoyl chloride
CID 87880031
4-(pentafluoro-lambda6-sulfanyl)benzoyl chloride
CID 2779215
4-dimethylarsanylbenzoyl chloride
CID 87760478
4-[3-(4-carbonochloridoylphenyl)-2,3-dimethylbutan-2-yl]benzoyl chloride
CID 139675989

Frequently Asked Questions

What is the IUPAC name of 4-tris(4-carbonochloridoylphenyl)silylbenzoyl chloride?
The IUPAC name of 4-tris(4-carbonochloridoylphenyl)silylbenzoyl chloride (CID 102443939) is 4-tris(4-carbonochloridoylphenyl)silylbenzoyl chloride.
What is the SMILES notation for 4-tris(4-carbonochloridoylphenyl)silylbenzoyl chloride?
The canonical SMILES for 4-tris(4-carbonochloridoylphenyl)silylbenzoyl chloride is O=C(Cl)c1ccc([Si](c2ccc(C(=O)Cl)cc2)(c2ccc(C(=O)Cl)cc2)c2ccc(C(=O)Cl)cc2)cc1.
What is the InChIKey of 4-tris(4-carbonochloridoylphenyl)silylbenzoyl chloride?
The InChIKey is QRBPHJWYUJYRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16Cl4O4Si/c29-25(33)17-1-9-21(10-2-17)37(22-11-3-18(4-12-22)26(30)34,23-13-5-19(6-14-23)27(31)35)24-15-7-20(8-16-24)28(32)36/h1-16H.
What are the key properties of 4-tris(4-carbonochloridoylphenyl)silylbenzoyl chloride?
4-tris(4-carbonochloridoylphenyl)silylbenzoyl chloride has a molecular weight of 586.33 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tris(4-carbonochloridoylphenyl)silylbenzoyl chloride is sourced from PubChem (CID 102443939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).