(4R,7S)-2-[tetrakis(4-chlorophenyl)-lambda5-stibanyl]oxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione

C32H24Cl4NO4Sb — CID 16689070

IUPAC(4R,7S)-2-[tetrakis(4-chlorophenyl)-lambda5-stibanyl]oxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
SMILESO=C1C2C(C(=O)N1O[Sb](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[C@H]1CC[C@@H]2O1
InChIInChI=1S/C8H8NO4.4C6H4Cl.Sb/c10-7-5-3-1-2-4(13-3)6(5)8(11)9(7)12;4*7-6-4-2-1-3-5-6;/h3-6H,1-2H2;4*2-5H;/q-1;;;;;+1/t3-,4+,5?,6?;;;;;
InChIKeyZBIHQUDENCCGJB-VACHWRCBSA-N
MW750.12 g/mol
LogP5.22
Rot. Bonds6

About (4R,7S)-2-[tetrakis(4-chlorophenyl)-lambda5-stibanyl]oxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione

(4R,7S)-2-[tetrakis(4-chlorophenyl)-lambda5-stibanyl]oxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione (PubChem CID 16689070) has the molecular formula C32H24Cl4NO4Sb and a molecular weight of 750.12 g/mol. Its IUPAC name is (4R,7S)-2-[tetrakis(4-chlorophenyl)-lambda5-stibanyl]oxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione.

Molecular Properties

Compound Name(4R,7S)-2-[tetrakis(4-chlorophenyl)-lambda5-stibanyl]oxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
PubChem CID16689070
Molecular FormulaC32H24Cl4NO4Sb
Molecular Weight750.12 g/mol
Exact Mass746.95
IUPAC Name(4R,7S)-2-[tetrakis(4-chlorophenyl)-lambda5-stibanyl]oxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
SMILESO=C1C2C(C(=O)N1O[Sb](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[C@H]1CC[C@@H]2O1
InChIInChI=1S/C8H8NO4.4C6H4Cl.Sb/c10-7-5-3-1-2-4(13-3)6(5)8(11)9(7)12;4*7-6-4-2-1-3-5-6;/h3-6H,1-2H2;4*2-5H;/q-1;;;;;+1/t3-,4+,5?,6?;;;;;
InChIKeyZBIHQUDENCCGJB-VACHWRCBSA-N
XLogP5.22
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.12
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,7S)-2-[tetrakis(4-chlorophenyl)-lambda5-stibanyl]oxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione?
The IUPAC name of (4R,7S)-2-[tetrakis(4-chlorophenyl)-lambda5-stibanyl]oxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione (CID 16689070) is (4R,7S)-2-[tetrakis(4-chlorophenyl)-lambda5-stibanyl]oxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione.
What is the SMILES notation for (4R,7S)-2-[tetrakis(4-chlorophenyl)-lambda5-stibanyl]oxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione?
The canonical SMILES for (4R,7S)-2-[tetrakis(4-chlorophenyl)-lambda5-stibanyl]oxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione is O=C1C2C(C(=O)N1O[Sb](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[C@H]1CC[C@@H]2O1.
What is the InChIKey of (4R,7S)-2-[tetrakis(4-chlorophenyl)-lambda5-stibanyl]oxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione?
The InChIKey is ZBIHQUDENCCGJB-VACHWRCBSA-N. The full InChI is InChI=1S/C8H8NO4.4C6H4Cl.Sb/c10-7-5-3-1-2-4(13-3)6(5)8(11)9(7)12;4*7-6-4-2-1-3-5-6;/h3-6H,1-2H2;4*2-5H;/q-1;;;;;+1/t3-,4+,5?,6?;;;;;.
What are the key properties of (4R,7S)-2-[tetrakis(4-chlorophenyl)-lambda5-stibanyl]oxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione?
(4R,7S)-2-[tetrakis(4-chlorophenyl)-lambda5-stibanyl]oxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione has a molecular weight of 750.12 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7S)-2-[tetrakis(4-chlorophenyl)-lambda5-stibanyl]oxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione is sourced from PubChem (CID 16689070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).