(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy(diphenyl)methyl]benzoate;4-[hydroxy(diphenyl)methyl]benzoic acid;1-hydroxypyrrolidine-2,5-dione;methane

C49H44N2O11 — CID 162228108

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy(diphenyl)methyl]benzoate;4-[hydroxy(diphenyl)methyl]benzoic acid;1-hydroxypyrrolidine-2,5-dione;methane
SMILESC.O=C(O)c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1.O=C(ON1C(=O)CCC1=O)c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1.O=C1CCC(=O)N1O
InChIInChI=1S/C24H19NO5.C20H16O3.C4H5NO3.CH4/c26-21-15-16-22(27)25(21)30-23(28)17-11-13-20(14-12-17)24(29,18-7-3-1-4-8-18)19-9-5-2-6-10-19;21-19(22)15-11-13-18(14-12-15)20(23,16-7-3-1-4-8-16)17-9-5-2-6-10-17;6-3-1-2-4(7)5(3)8;/h1-14,29H,15-16H2;1-14,23H,(H,21,22);8H,1-2H2;1H4
InChIKeyZVAODLFZPPPOID-UHFFFAOYSA-N
MW836.89 g/mol
LogP7.02
Rot. Bonds9

About (2,5-dioxopyrrolidin-1-yl) 4-[hydroxy(diphenyl)methyl]benzoate;4-[hydroxy(diphenyl)methyl]benzoic acid;1-hydroxypyrrolidine-2,5-dione;methane

(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy(diphenyl)methyl]benzoate;4-[hydroxy(diphenyl)methyl]benzoic acid;1-hydroxypyrrolidine-2,5-dione;methane (PubChem CID 162228108) has the molecular formula C49H44N2O11 and a molecular weight of 836.89 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[hydroxy(diphenyl)methyl]benzoate;4-[hydroxy(diphenyl)methyl]benzoic acid;1-hydroxypyrrolidine-2,5-dione;methane.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy(diphenyl)methyl]benzoate;4-[hydroxy(diphenyl)methyl]benzoic acid;1-hydroxypyrrolidine-2,5-dione;methane
PubChem CID162228108
Molecular FormulaC49H44N2O11
Molecular Weight836.89 g/mol
Exact Mass836.29
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy(diphenyl)methyl]benzoate;4-[hydroxy(diphenyl)methyl]benzoic acid;1-hydroxypyrrolidine-2,5-dione;methane
SMILESC.O=C(O)c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1.O=C(ON1C(=O)CCC1=O)c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1.O=C1CCC(=O)N1O
InChIInChI=1S/C24H19NO5.C20H16O3.C4H5NO3.CH4/c26-21-15-16-22(27)25(21)30-23(28)17-11-13-20(14-12-17)24(29,18-7-3-1-4-8-18)19-9-5-2-6-10-19;21-19(22)15-11-13-18(14-12-15)20(23,16-7-3-1-4-8-16)17-9-5-2-6-10-17;6-3-1-2-4(7)5(3)8;/h1-14,29H,15-16H2;1-14,23H,(H,21,22);8H,1-2H2;1H4
InChIKeyZVAODLFZPPPOID-UHFFFAOYSA-N
XLogP7.02
TPSA199.05 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.89
LogP ≤ 57.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[hydroxy(diphenyl)methyl]benzoate;4-[hydroxy(diphenyl)methyl]benzoic acid;1-hydroxypyrrolidine-2,5-dione;methane?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[hydroxy(diphenyl)methyl]benzoate;4-[hydroxy(diphenyl)methyl]benzoic acid;1-hydroxypyrrolidine-2,5-dione;methane (CID 162228108) is (2,5-dioxopyrrolidin-1-yl) 4-[hydroxy(diphenyl)methyl]benzoate;4-[hydroxy(diphenyl)methyl]benzoic acid;1-hydroxypyrrolidine-2,5-dione;methane.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[hydroxy(diphenyl)methyl]benzoate;4-[hydroxy(diphenyl)methyl]benzoic acid;1-hydroxypyrrolidine-2,5-dione;methane?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[hydroxy(diphenyl)methyl]benzoate;4-[hydroxy(diphenyl)methyl]benzoic acid;1-hydroxypyrrolidine-2,5-dione;methane is C.O=C(O)c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1.O=C(ON1C(=O)CCC1=O)c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1.O=C1CCC(=O)N1O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[hydroxy(diphenyl)methyl]benzoate;4-[hydroxy(diphenyl)methyl]benzoic acid;1-hydroxypyrrolidine-2,5-dione;methane?
The InChIKey is ZVAODLFZPPPOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO5.C20H16O3.C4H5NO3.CH4/c26-21-15-16-22(27)25(21)30-23(28)17-11-13-20(14-12-17)24(29,18-7-3-1-4-8-18)19-9-5-2-6-10-19;21-19(22)15-11-13-18(14-12-15)20(23,16-7-3-1-4-8-16)17-9-5-2-6-10-17;6-3-1-2-4(7)5(3)8;/h1-14,29H,15-16H2;1-14,23H,(H,21,22);8H,1-2H2;1H4.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[hydroxy(diphenyl)methyl]benzoate;4-[hydroxy(diphenyl)methyl]benzoic acid;1-hydroxypyrrolidine-2,5-dione;methane?
(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy(diphenyl)methyl]benzoate;4-[hydroxy(diphenyl)methyl]benzoic acid;1-hydroxypyrrolidine-2,5-dione;methane has a molecular weight of 836.89 g/mol, XLogP of 7.02, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-[hydroxy(diphenyl)methyl]benzoate;4-[hydroxy(diphenyl)methyl]benzoic acid;1-hydroxypyrrolidine-2,5-dione;methane is sourced from PubChem (CID 162228108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).