ethenyl 4-[[4-bis(4-ethenoxycarbonylphenyl)stibanylphenyl]-(4-ethenoxycarbonylphenyl)stibanyl]benzoate

C42H32O8Sb2 — CID 172860438

IUPACethenyl 4-[[4-bis(4-ethenoxycarbonylphenyl)stibanylphenyl]-(4-ethenoxycarbonylphenyl)stibanyl]benzoate
SMILESC=COC(=O)c1ccc([Sb](c2ccc(C(=O)OC=C)cc2)c2ccc([Sb](c3ccc(C(=O)OC=C)cc3)c3ccc(C(=O)OC=C)cc3)cc2)cc1
InChIInChI=1S/4C9H7O2.C6H4.2Sb/c4*1-2-11-9(10)8-6-4-3-5-7-8;1-2-4-6-5-3-1;;/h4*2,4-7H,1H2;1-2,5-6H;;
InChIKeyZGUWJYMQILANIF-UHFFFAOYSA-N
MW908.23 g/mol
LogP3.92
Rot. Bonds14

About ethenyl 4-[[4-bis(4-ethenoxycarbonylphenyl)stibanylphenyl]-(4-ethenoxycarbonylphenyl)stibanyl]benzoate

ethenyl 4-[[4-bis(4-ethenoxycarbonylphenyl)stibanylphenyl]-(4-ethenoxycarbonylphenyl)stibanyl]benzoate (PubChem CID 172860438) has the molecular formula C42H32O8Sb2 and a molecular weight of 908.23 g/mol. Its IUPAC name is ethenyl 4-[[4-bis(4-ethenoxycarbonylphenyl)stibanylphenyl]-(4-ethenoxycarbonylphenyl)stibanyl]benzoate.

Molecular Properties

Compound Nameethenyl 4-[[4-bis(4-ethenoxycarbonylphenyl)stibanylphenyl]-(4-ethenoxycarbonylphenyl)stibanyl]benzoate
PubChem CID172860438
Molecular FormulaC42H32O8Sb2
Molecular Weight908.23 g/mol
Exact Mass906.02
IUPAC Nameethenyl 4-[[4-bis(4-ethenoxycarbonylphenyl)stibanylphenyl]-(4-ethenoxycarbonylphenyl)stibanyl]benzoate
SMILESC=COC(=O)c1ccc([Sb](c2ccc(C(=O)OC=C)cc2)c2ccc([Sb](c3ccc(C(=O)OC=C)cc3)c3ccc(C(=O)OC=C)cc3)cc2)cc1
InChIInChI=1S/4C9H7O2.C6H4.2Sb/c4*1-2-11-9(10)8-6-4-3-5-7-8;1-2-4-6-5-3-1;;/h4*2,4-7H,1H2;1-2,5-6H;;
InChIKeyZGUWJYMQILANIF-UHFFFAOYSA-N
XLogP3.92
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500908.23
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethenyl 4-[[3,5-bis[bis(4-ethenoxycarbonylphenyl)stibanyl]phenyl]-(4-ethenoxycarbonylphenyl)stibanyl]benzoate
CID 172855984
ethenyl 4-fluorobenzoate
CID 54757351
ethenyl benzoate
CID 158178912
CID 69279397
CID 69279397
ethenyl 4-methoxybenzoate;propan-2-one
CID 70140612
ethenyl benzoate;2-methylprop-1-ene
CID 174957134
ethenyl 4-but-3-enoyloxybenzoate
CID 67807480
4-(4-ethenoxycarbonylphenyl)but-2-enoic acid
CID 67806708
ethenyl benzoate;methyl prop-2-enoate
CID 174376809
[4-[[3,5-bis[bis(4-prop-2-enoyloxyphenyl)stibanyl]phenyl]-(4-prop-2-enoyloxyphenyl)stibanyl]phenyl] prop-2-enoate
CID 172799970
[(1E)-buta-1,3-dienyl] 4-iodobenzoate
CID 172553888
ethene;ethenyl 2-hydroxybenzoate
CID 159926426

Frequently Asked Questions

What is the IUPAC name of ethenyl 4-[[4-bis(4-ethenoxycarbonylphenyl)stibanylphenyl]-(4-ethenoxycarbonylphenyl)stibanyl]benzoate?
The IUPAC name of ethenyl 4-[[4-bis(4-ethenoxycarbonylphenyl)stibanylphenyl]-(4-ethenoxycarbonylphenyl)stibanyl]benzoate (CID 172860438) is ethenyl 4-[[4-bis(4-ethenoxycarbonylphenyl)stibanylphenyl]-(4-ethenoxycarbonylphenyl)stibanyl]benzoate.
What is the SMILES notation for ethenyl 4-[[4-bis(4-ethenoxycarbonylphenyl)stibanylphenyl]-(4-ethenoxycarbonylphenyl)stibanyl]benzoate?
The canonical SMILES for ethenyl 4-[[4-bis(4-ethenoxycarbonylphenyl)stibanylphenyl]-(4-ethenoxycarbonylphenyl)stibanyl]benzoate is C=COC(=O)c1ccc([Sb](c2ccc(C(=O)OC=C)cc2)c2ccc([Sb](c3ccc(C(=O)OC=C)cc3)c3ccc(C(=O)OC=C)cc3)cc2)cc1.
What is the InChIKey of ethenyl 4-[[4-bis(4-ethenoxycarbonylphenyl)stibanylphenyl]-(4-ethenoxycarbonylphenyl)stibanyl]benzoate?
The InChIKey is ZGUWJYMQILANIF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H7O2.C6H4.2Sb/c4*1-2-11-9(10)8-6-4-3-5-7-8;1-2-4-6-5-3-1;;/h4*2,4-7H,1H2;1-2,5-6H;;.
What are the key properties of ethenyl 4-[[4-bis(4-ethenoxycarbonylphenyl)stibanylphenyl]-(4-ethenoxycarbonylphenyl)stibanyl]benzoate?
ethenyl 4-[[4-bis(4-ethenoxycarbonylphenyl)stibanylphenyl]-(4-ethenoxycarbonylphenyl)stibanyl]benzoate has a molecular weight of 908.23 g/mol, XLogP of 3.92, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 4-[[4-bis(4-ethenoxycarbonylphenyl)stibanylphenyl]-(4-ethenoxycarbonylphenyl)stibanyl]benzoate is sourced from PubChem (CID 172860438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).