(2,2,2-triphenylacetyl) 2,2,2-triphenylacetate

C40H30O3 — CID 22605235

IUPAC(2,2,2-triphenylacetyl) 2,2,2-triphenylacetate
SMILESO=C(OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H30O3/c41-37(39(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33)43-38(42)40(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H
InChIKeyLZGZTBZIRWYCJD-UHFFFAOYSA-N
MW558.68 g/mol
LogP8.13
Rot. Bonds8

About (2,2,2-triphenylacetyl) 2,2,2-triphenylacetate

(2,2,2-triphenylacetyl) 2,2,2-triphenylacetate (PubChem CID 22605235) has the molecular formula C40H30O3 and a molecular weight of 558.68 g/mol. Its IUPAC name is (2,2,2-triphenylacetyl) 2,2,2-triphenylacetate.

Molecular Properties

Compound Name(2,2,2-triphenylacetyl) 2,2,2-triphenylacetate
PubChem CID22605235
Molecular FormulaC40H30O3
Molecular Weight558.68 g/mol
Exact Mass558.22
IUPAC Name(2,2,2-triphenylacetyl) 2,2,2-triphenylacetate
SMILESO=C(OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H30O3/c41-37(39(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33)43-38(42)40(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H
InChIKeyLZGZTBZIRWYCJD-UHFFFAOYSA-N
XLogP8.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.68
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2,2,2-triphenylacetate;hydrogen peroxide
CID 174664507
ethenyl 2,2,2-triphenylacetate
CID 102123428
benzhydryl 2,2,2-triphenylacetate
CID 126186590
2-oxo-3,3,3-triphenylpropanamide
CID 174934653
methyl 2-(2-methylphenyl)-2,2-diphenylacetate
CID 620898
N-methoxy-2,2,2-triphenylacetamide
CID 175153772
chloro 2-hydroxy-2,2-diphenylacetate
CID 67237911
methyl 2,2-dibromo-2-phenylacetate
CID 59974916
2-(4-methylphenyl)-2,2-diphenylacetic acid
CID 19733760
(2,3-dimethoxy-1,1-diphenylpent-2-enyl)benzene
CID 67563916
carboxy hydrogen carbonate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 175134122
methyl 2-fluoro-2,2-diphenylacetate
CID 13222568

Frequently Asked Questions

What is the IUPAC name of (2,2,2-triphenylacetyl) 2,2,2-triphenylacetate?
The IUPAC name of (2,2,2-triphenylacetyl) 2,2,2-triphenylacetate (CID 22605235) is (2,2,2-triphenylacetyl) 2,2,2-triphenylacetate.
What is the SMILES notation for (2,2,2-triphenylacetyl) 2,2,2-triphenylacetate?
The canonical SMILES for (2,2,2-triphenylacetyl) 2,2,2-triphenylacetate is O=C(OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2,2,2-triphenylacetyl) 2,2,2-triphenylacetate?
The InChIKey is LZGZTBZIRWYCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30O3/c41-37(39(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33)43-38(42)40(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H.
What are the key properties of (2,2,2-triphenylacetyl) 2,2,2-triphenylacetate?
(2,2,2-triphenylacetyl) 2,2,2-triphenylacetate has a molecular weight of 558.68 g/mol, XLogP of 8.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,2-triphenylacetyl) 2,2,2-triphenylacetate is sourced from PubChem (CID 22605235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).