octapotassium;4-[[3-[[3-[(Z)-2-[3,5-bis[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenyl]ethenyl]-5-[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxylatophenyl)methoxy]phenoxy]methyl]benzoate

C106H76K8O28 — CID 101223324

IUPACoctapotassium;4-[[3-[[3-[(Z)-2-[3,5-bis[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenyl]ethenyl]-5-[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxylatophenyl)methoxy]phenoxy]methyl]benzoate
SMILESO=C([O-])c1ccc(COc2cc(COc3cc(/C=C\c4cc(OCc5cc(OCc6ccc(C(=O)[O-])cc6)cc(OCc6ccc(C(=O)[O-])cc6)c5)cc(OCc5cc(OCc6ccc(C(=O)[O-])cc6)cc(OCc6ccc(C(=O)[O-])cc6)c5)c4)cc(OCc4cc(OCc5ccc(C(=O)[O-])cc5)cc(OCc5ccc(C(=O)[O-])cc5)c4)c3)cc(OCc3ccc(C(=O)[O-])cc3)c2)cc1.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/C106H84O28.8K/c107-99(108)79-19-3-65(4-20-79)53-123-91-39-75(40-92(49-91)124-54-66-5-21-80(22-6-66)100(109)110)61-131-87-35-73(36-88(47-87)132-62-76-41-93(125-55-67-7-23-81(24-8-67)101(111)112)50-94(42-76)126-56-68-9-25-82(26-10-68)102(113)114)1-2-74-37-89(133-63-77-43-95(127-57-69-11-27-83(28-12-69)103(115)116)51-96(44-77)128-58-70-13-29-84(30-14-70)104(117)118)48-90(38-74)134-64-78-45-97(129-59-71-15-31-85(32-16-71)105(119)120)52-98(46-78)130-60-72-17-33-86(34-18-72)106(121)122;;;;;;;;/h1-52H,53-64H2,(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H,121,122);;;;;;;;/q;8*+1/p-8/b2-1-;;;;;;;;
InChIKeyUQZNOMBMSZBVHH-DYNMZUSMSA-F
MW2110.53 g/mol
LogP-14.26
Rot. Bonds46

About octapotassium;4-[[3-[[3-[(Z)-2-[3,5-bis[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenyl]ethenyl]-5-[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxylatophenyl)methoxy]phenoxy]methyl]benzoate

octapotassium;4-[[3-[[3-[(Z)-2-[3,5-bis[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenyl]ethenyl]-5-[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxylatophenyl)methoxy]phenoxy]methyl]benzoate (PubChem CID 101223324) has the molecular formula C106H76K8O28 and a molecular weight of 2110.53 g/mol. Its IUPAC name is octapotassium;4-[[3-[[3-[(Z)-2-[3,5-bis[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenyl]ethenyl]-5-[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxylatophenyl)methoxy]phenoxy]methyl]benzoate.

Molecular Properties

Compound Nameoctapotassium;4-[[3-[[3-[(Z)-2-[3,5-bis[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenyl]ethenyl]-5-[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxylatophenyl)methoxy]phenoxy]methyl]benzoate
PubChem CID101223324
Molecular FormulaC106H76K8O28
Molecular Weight2110.53 g/mol
Exact Mass2108.16
IUPAC Nameoctapotassium;4-[[3-[[3-[(Z)-2-[3,5-bis[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenyl]ethenyl]-5-[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxylatophenyl)methoxy]phenoxy]methyl]benzoate
SMILESO=C([O-])c1ccc(COc2cc(COc3cc(/C=C\c4cc(OCc5cc(OCc6ccc(C(=O)[O-])cc6)cc(OCc6ccc(C(=O)[O-])cc6)c5)cc(OCc5cc(OCc6ccc(C(=O)[O-])cc6)cc(OCc6ccc(C(=O)[O-])cc6)c5)c4)cc(OCc4cc(OCc5ccc(C(=O)[O-])cc5)cc(OCc5ccc(C(=O)[O-])cc5)c4)c3)cc(OCc3ccc(C(=O)[O-])cc3)c2)cc1.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/C106H84O28.8K/c107-99(108)79-19-3-65(4-20-79)53-123-91-39-75(40-92(49-91)124-54-66-5-21-80(22-6-66)100(109)110)61-131-87-35-73(36-88(47-87)132-62-76-41-93(125-55-67-7-23-81(24-8-67)101(111)112)50-94(42-76)126-56-68-9-25-82(26-10-68)102(113)114)1-2-74-37-89(133-63-77-43-95(127-57-69-11-27-83(28-12-69)103(115)116)51-96(44-77)128-58-70-13-29-84(30-14-70)104(117)118)48-90(38-74)134-64-78-45-97(129-59-71-15-31-85(32-16-71)105(119)120)52-98(46-78)130-60-72-17-33-86(34-18-72)106(121)122;;;;;;;;/h1-52H,53-64H2,(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H,121,122);;;;;;;;/q;8*+1/p-8/b2-1-;;;;;;;;
InChIKeyUQZNOMBMSZBVHH-DYNMZUSMSA-F
XLogP-14.26
TPSA431.80 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds46
Heavy Atoms142
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002110.53
LogP ≤ 5-14.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze octapotassium;4-[[3-[[3-[(Z)-2-[3,5-bis[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenyl]ethenyl]-5-[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxylatophenyl)methoxy]phenoxy]methyl]benzoate with MolForge

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Related Compounds

3,5-bis(phenylmethoxy)benzoate
CID 6986896
4-[(3,4-dimethylphenoxy)methyl]benzoate
CID 4053070
4-[(4-propylphenoxy)methyl]benzoate
CID 2336592
4-[[3-[[3-[[4-bis[4-[[3,5-bis[[3,5-bis[(4-carboxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]phosphanylphenoxy]methyl]-5-[[3,5-bis[(4-carboxyphenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxyphenyl)methoxy]phenoxy]methyl]benzoic acid
CID 102588787
4-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 7101920
tris[[3,5-bis[[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]methoxy]phenyl]methyl] benzene-1,3,5-tricarboxylate
CID 102253111
2-[4-[[3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenoxy]methyl]phenyl]acetic acid
CID 176907777
3-[3,5-bis[(4-ethoxyphenyl)methoxy]phenyl]prop-2-enoic acid
CID 141162132
4-[(2-bromo-4-formylphenoxy)methyl]benzoate
CID 4745765
4-[[3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzoate
CID 7428367
1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene
CID 53395274
4-[[3-[(Z)-[[2-(2-methylpropylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 8989510

Frequently Asked Questions

What is the IUPAC name of octapotassium;4-[[3-[[3-[(Z)-2-[3,5-bis[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenyl]ethenyl]-5-[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxylatophenyl)methoxy]phenoxy]methyl]benzoate?
The IUPAC name of octapotassium;4-[[3-[[3-[(Z)-2-[3,5-bis[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenyl]ethenyl]-5-[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxylatophenyl)methoxy]phenoxy]methyl]benzoate (CID 101223324) is octapotassium;4-[[3-[[3-[(Z)-2-[3,5-bis[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenyl]ethenyl]-5-[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxylatophenyl)methoxy]phenoxy]methyl]benzoate.
What is the SMILES notation for octapotassium;4-[[3-[[3-[(Z)-2-[3,5-bis[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenyl]ethenyl]-5-[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxylatophenyl)methoxy]phenoxy]methyl]benzoate?
The canonical SMILES for octapotassium;4-[[3-[[3-[(Z)-2-[3,5-bis[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenyl]ethenyl]-5-[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxylatophenyl)methoxy]phenoxy]methyl]benzoate is O=C([O-])c1ccc(COc2cc(COc3cc(/C=C\c4cc(OCc5cc(OCc6ccc(C(=O)[O-])cc6)cc(OCc6ccc(C(=O)[O-])cc6)c5)cc(OCc5cc(OCc6ccc(C(=O)[O-])cc6)cc(OCc6ccc(C(=O)[O-])cc6)c5)c4)cc(OCc4cc(OCc5ccc(C(=O)[O-])cc5)cc(OCc5ccc(C(=O)[O-])cc5)c4)c3)cc(OCc3ccc(C(=O)[O-])cc3)c2)cc1.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].
What is the InChIKey of octapotassium;4-[[3-[[3-[(Z)-2-[3,5-bis[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenyl]ethenyl]-5-[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxylatophenyl)methoxy]phenoxy]methyl]benzoate?
The InChIKey is UQZNOMBMSZBVHH-DYNMZUSMSA-F. The full InChI is InChI=1S/C106H84O28.8K/c107-99(108)79-19-3-65(4-20-79)53-123-91-39-75(40-92(49-91)124-54-66-5-21-80(22-6-66)100(109)110)61-131-87-35-73(36-88(47-87)132-62-76-41-93(125-55-67-7-23-81(24-8-67)101(111)112)50-94(42-76)126-56-68-9-25-82(26-10-68)102(113)114)1-2-74-37-89(133-63-77-43-95(127-57-69-11-27-83(28-12-69)103(115)116)51-96(44-77)128-58-70-13-29-84(30-14-70)104(117)118)48-90(38-74)134-64-78-45-97(129-59-71-15-31-85(32-16-71)105(119)120)52-98(46-78)130-60-72-17-33-86(34-18-72)106(121)122;;;;;;;;/h1-52H,53-64H2,(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H,121,122);;;;;;;;/q;8*+1/p-8/b2-1-;;;;;;;;.
What are the key properties of octapotassium;4-[[3-[[3-[(Z)-2-[3,5-bis[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenyl]ethenyl]-5-[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxylatophenyl)methoxy]phenoxy]methyl]benzoate?
octapotassium;4-[[3-[[3-[(Z)-2-[3,5-bis[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenyl]ethenyl]-5-[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxylatophenyl)methoxy]phenoxy]methyl]benzoate has a molecular weight of 2110.53 g/mol, XLogP of -14.26, 46 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for octapotassium;4-[[3-[[3-[(Z)-2-[3,5-bis[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenyl]ethenyl]-5-[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxylatophenyl)methoxy]phenoxy]methyl]benzoate is sourced from PubChem (CID 101223324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).