[[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-diphenylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate

C38H30N2O8Sn — CID 16688308

IUPAC[[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-diphenylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate
SMILESO=C(O[Sn](OC(=O)C(Cc1ccccc1)N1C(=O)C=CC1=O)(c1ccccc1)c1ccccc1)C(Cc1ccccc1)N1C(=O)C=CC1=O
InChIInChI=1S/2C13H11NO4.2C6H5.Sn/c2*15-11-6-7-12(16)14(11)10(13(17)18)8-9-4-2-1-3-5-9;2*1-2-4-6-5-3-1;/h2*1-7,10H,8H2,(H,17,18);2*1-5H;/q;;;;+2/p-2
InChIKeyTUKLAGROLPDLLY-UHFFFAOYSA-L
MW761.38 g/mol
LogP2.40
Rot. Bonds12

About [[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-diphenylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate

[[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-diphenylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate (PubChem CID 16688308) has the molecular formula C38H30N2O8Sn and a molecular weight of 761.38 g/mol. Its IUPAC name is [[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-diphenylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate.

Molecular Properties

Compound Name[[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-diphenylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate
PubChem CID16688308
Molecular FormulaC38H30N2O8Sn
Molecular Weight761.38 g/mol
Exact Mass762.10
IUPAC Name[[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-diphenylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate
SMILESO=C(O[Sn](OC(=O)C(Cc1ccccc1)N1C(=O)C=CC1=O)(c1ccccc1)c1ccccc1)C(Cc1ccccc1)N1C(=O)C=CC1=O
InChIInChI=1S/2C13H11NO4.2C6H5.Sn/c2*15-11-6-7-12(16)14(11)10(13(17)18)8-9-4-2-1-3-5-9;2*1-2-4-6-5-3-1;/h2*1-7,10H,8H2,(H,17,18);2*1-5H;/q;;;;+2/p-2
InChIKeyTUKLAGROLPDLLY-UHFFFAOYSA-L
XLogP2.40
TPSA127.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500761.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-dimethylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate
CID 16687826
benzyl (2S)-2-(2,5-dioxopyrrol-1-yl)-4-methylpentanoate
CID 101435468
[(2S)-2-(2,5-dioxopyrrol-1-yl)-3-phenylpropyl] benzoate
CID 102251622
prop-2-enyl (2S)-2-(2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoate
CID 102417431
ethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 830179
[(3S)-3-(1,3-dioxoisoindol-2-yl)-2-oxo-4-phenylbutyl] (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 23314933
ethyl 2-(3-amino-2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoate
CID 139636721
2-oxopropyl (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 22110471
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 6919275
methyl (2S)-2-[13-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-3-phenylpropanoate;bis(propan-2-one)
CID 139090030
(2S)-2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-3-phenylpropanoic acid
CID 67791576
2-ethoxyethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 24518121

Frequently Asked Questions

What is the IUPAC name of [[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-diphenylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate?
The IUPAC name of [[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-diphenylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate (CID 16688308) is [[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-diphenylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate.
What is the SMILES notation for [[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-diphenylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate?
The canonical SMILES for [[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-diphenylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate is O=C(O[Sn](OC(=O)C(Cc1ccccc1)N1C(=O)C=CC1=O)(c1ccccc1)c1ccccc1)C(Cc1ccccc1)N1C(=O)C=CC1=O.
What is the InChIKey of [[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-diphenylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate?
The InChIKey is TUKLAGROLPDLLY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H11NO4.2C6H5.Sn/c2*15-11-6-7-12(16)14(11)10(13(17)18)8-9-4-2-1-3-5-9;2*1-2-4-6-5-3-1;/h2*1-7,10H,8H2,(H,17,18);2*1-5H;/q;;;;+2/p-2.
What are the key properties of [[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-diphenylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate?
[[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-diphenylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate has a molecular weight of 761.38 g/mol, XLogP of 2.40, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-diphenylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate is sourced from PubChem (CID 16688308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).