[4-[[4-bis(4-penta-2,4-dienoyloxyphenoxy)stibanylphenyl]-(4-penta-2,4-dienoyloxyphenoxy)stibanyl]oxyphenyl] penta-2,4-dienoate

C50H40O12Sb2 — CID 172757368

IUPAC[4-[[4-bis(4-penta-2,4-dienoyloxyphenoxy)stibanylphenyl]-(4-penta-2,4-dienoyloxyphenoxy)stibanyl]oxyphenyl] penta-2,4-dienoate
SMILESC=CC=CC(=O)Oc1ccc(O[Sb](Oc2ccc(OC(=O)C=CC=C)cc2)c2ccc([Sb](Oc3ccc(OC(=O)C=CC=C)cc3)Oc3ccc(OC(=O)C=CC=C)cc3)cc2)cc1
InChIInChI=1S/4C11H10O3.C6H4.2Sb/c4*1-2-3-4-11(13)14-10-7-5-9(12)6-8-10;1-2-4-6-5-3-1;;/h4*2-8,12H,1H2;1-2,5-6H;;/q;;;;;2*+2/p-4
InChIKeyLFCBFRAHQPRJKY-UHFFFAOYSA-J
MW1076.38 g/mol
LogP7.98
Rot. Bonds22

About [4-[[4-bis(4-penta-2,4-dienoyloxyphenoxy)stibanylphenyl]-(4-penta-2,4-dienoyloxyphenoxy)stibanyl]oxyphenyl] penta-2,4-dienoate

[4-[[4-bis(4-penta-2,4-dienoyloxyphenoxy)stibanylphenyl]-(4-penta-2,4-dienoyloxyphenoxy)stibanyl]oxyphenyl] penta-2,4-dienoate (PubChem CID 172757368) has the molecular formula C50H40O12Sb2 and a molecular weight of 1076.38 g/mol. Its IUPAC name is [4-[[4-bis(4-penta-2,4-dienoyloxyphenoxy)stibanylphenyl]-(4-penta-2,4-dienoyloxyphenoxy)stibanyl]oxyphenyl] penta-2,4-dienoate.

Molecular Properties

Compound Name[4-[[4-bis(4-penta-2,4-dienoyloxyphenoxy)stibanylphenyl]-(4-penta-2,4-dienoyloxyphenoxy)stibanyl]oxyphenyl] penta-2,4-dienoate
PubChem CID172757368
Molecular FormulaC50H40O12Sb2
Molecular Weight1076.38 g/mol
Exact Mass1074.06
IUPAC Name[4-[[4-bis(4-penta-2,4-dienoyloxyphenoxy)stibanylphenyl]-(4-penta-2,4-dienoyloxyphenoxy)stibanyl]oxyphenyl] penta-2,4-dienoate
SMILESC=CC=CC(=O)Oc1ccc(O[Sb](Oc2ccc(OC(=O)C=CC=C)cc2)c2ccc([Sb](Oc3ccc(OC(=O)C=CC=C)cc3)Oc3ccc(OC(=O)C=CC=C)cc3)cc2)cc1
InChIInChI=1S/4C11H10O3.C6H4.2Sb/c4*1-2-3-4-11(13)14-10-7-5-9(12)6-8-10;1-2-4-6-5-3-1;;/h4*2-8,12H,1H2;1-2,5-6H;;/q;;;;;2*+2/p-4
InChIKeyLFCBFRAHQPRJKY-UHFFFAOYSA-J
XLogP7.98
TPSA142.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001076.38
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[4-[[3,5-bis[bis(4-prop-2-enoyloxyphenoxy)stibanyl]phenyl]-(4-prop-2-enoyloxyphenoxy)stibanyl]oxyphenyl] prop-2-enoate
CID 172790099
bis(4-prop-2-enylphenyl) (Z)-but-2-enedioate
CID 67944878
[4-[[3,5-bis[bis(4-prop-2-enoyloxyphenyl)stibanyl]phenyl]-(4-prop-2-enoyloxyphenyl)stibanyl]phenyl] prop-2-enoate
CID 172799970
bis(4-fluorophenyl) (E)-but-2-enedioate
CID 175341971
(Z)-4-(4-ethenylphenoxy)-4-oxobut-2-enoic acid
CID 68934916
4-(4-ethenylphenoxy)-4-oxobut-2-enoic acid
CID 68934918
methyl (1Z,2Z)-N-phenoxycarbonylpenta-2,4-dienimidate
CID 177469291
(4-phenylperoxyphenyl) prop-2-enoate
CID 163991970
buta-1,3-diene;diphenyl carbonate
CID 87173366
(4-prop-2-enoyloxyphenyl)phosphonic acid
CID 69294557
[4-(2-oxoethyl)phenyl] prop-2-enoate
CID 141400952
di(penta-2,4-dienoyloxy)bismuthanyl penta-2,4-dienoate
CID 172754861

Frequently Asked Questions

What is the IUPAC name of [4-[[4-bis(4-penta-2,4-dienoyloxyphenoxy)stibanylphenyl]-(4-penta-2,4-dienoyloxyphenoxy)stibanyl]oxyphenyl] penta-2,4-dienoate?
The IUPAC name of [4-[[4-bis(4-penta-2,4-dienoyloxyphenoxy)stibanylphenyl]-(4-penta-2,4-dienoyloxyphenoxy)stibanyl]oxyphenyl] penta-2,4-dienoate (CID 172757368) is [4-[[4-bis(4-penta-2,4-dienoyloxyphenoxy)stibanylphenyl]-(4-penta-2,4-dienoyloxyphenoxy)stibanyl]oxyphenyl] penta-2,4-dienoate.
What is the SMILES notation for [4-[[4-bis(4-penta-2,4-dienoyloxyphenoxy)stibanylphenyl]-(4-penta-2,4-dienoyloxyphenoxy)stibanyl]oxyphenyl] penta-2,4-dienoate?
The canonical SMILES for [4-[[4-bis(4-penta-2,4-dienoyloxyphenoxy)stibanylphenyl]-(4-penta-2,4-dienoyloxyphenoxy)stibanyl]oxyphenyl] penta-2,4-dienoate is C=CC=CC(=O)Oc1ccc(O[Sb](Oc2ccc(OC(=O)C=CC=C)cc2)c2ccc([Sb](Oc3ccc(OC(=O)C=CC=C)cc3)Oc3ccc(OC(=O)C=CC=C)cc3)cc2)cc1.
What is the InChIKey of [4-[[4-bis(4-penta-2,4-dienoyloxyphenoxy)stibanylphenyl]-(4-penta-2,4-dienoyloxyphenoxy)stibanyl]oxyphenyl] penta-2,4-dienoate?
The InChIKey is LFCBFRAHQPRJKY-UHFFFAOYSA-J. The full InChI is InChI=1S/4C11H10O3.C6H4.2Sb/c4*1-2-3-4-11(13)14-10-7-5-9(12)6-8-10;1-2-4-6-5-3-1;;/h4*2-8,12H,1H2;1-2,5-6H;;/q;;;;;2*+2/p-4.
What are the key properties of [4-[[4-bis(4-penta-2,4-dienoyloxyphenoxy)stibanylphenyl]-(4-penta-2,4-dienoyloxyphenoxy)stibanyl]oxyphenyl] penta-2,4-dienoate?
[4-[[4-bis(4-penta-2,4-dienoyloxyphenoxy)stibanylphenyl]-(4-penta-2,4-dienoyloxyphenoxy)stibanyl]oxyphenyl] penta-2,4-dienoate has a molecular weight of 1076.38 g/mol, XLogP of 7.98, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-bis(4-penta-2,4-dienoyloxyphenoxy)stibanylphenyl]-(4-penta-2,4-dienoyloxyphenoxy)stibanyl]oxyphenyl] penta-2,4-dienoate is sourced from PubChem (CID 172757368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).