bis(2-[[3,5-bis[(3,5-ditert-butyl-2-oxidophenyl)methyl]-2,4,6-trimethylphenyl]methyl]-4,6-ditert-butylphenolate);ethoxyethane;toluene;bis(uranium(4+));carbonate

C124H178O11U2 — CID 139181486

IUPACbis(2-[[3,5-bis[(3,5-ditert-butyl-2-oxidophenyl)methyl]-2,4,6-trimethylphenyl]methyl]-4,6-ditert-butylphenolate);ethoxyethane;toluene;bis(uranium(4+));carbonate
SMILESCCOCC.CCOCC.Cc1c(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c(C)c(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c(C)c1Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].Cc1c(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c(C)c(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c(C)c1Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].Cc1ccccc1.O=C([O-])[O-].[U+4].[U+4]
InChIInChI=1S/2C54H78O3.C7H8.2C4H10O.CH2O3.2U/c2*1-31-40(25-34-22-37(49(4,5)6)28-43(46(34)55)52(13,14)15)32(2)42(27-36-24-39(51(10,11)12)30-45(48(36)57)54(19,20)21)33(3)41(31)26-35-23-38(50(7,8)9)29-44(47(35)56)53(16,17)18;1-7-5-3-2-4-6-7;2*1-3-5-4-2;2-1(3)4;;/h2*22-24,28-30,55-57H,25-27H2,1-21H3;2-6H,1H3;2*3-4H2,1-2H3;(H2,2,3,4);;/q;;;;;;2*+4/p-8
InChIKeyXVDPUPWMPQQIBF-UHFFFAOYSA-F
MW2320.83 g/mol
LogP26.41
Rot. Bonds16

About bis(2-[[3,5-bis[(3,5-ditert-butyl-2-oxidophenyl)methyl]-2,4,6-trimethylphenyl]methyl]-4,6-ditert-butylphenolate);ethoxyethane;toluene;bis(uranium(4+));carbonate

bis(2-[[3,5-bis[(3,5-ditert-butyl-2-oxidophenyl)methyl]-2,4,6-trimethylphenyl]methyl]-4,6-ditert-butylphenolate);ethoxyethane;toluene;bis(uranium(4+));carbonate (PubChem CID 139181486) has the molecular formula C124H178O11U2 and a molecular weight of 2320.83 g/mol. Its IUPAC name is bis(2-[[3,5-bis[(3,5-ditert-butyl-2-oxidophenyl)methyl]-2,4,6-trimethylphenyl]methyl]-4,6-ditert-butylphenolate);ethoxyethane;toluene;bis(uranium(4+));carbonate.

Molecular Properties

Compound Namebis(2-[[3,5-bis[(3,5-ditert-butyl-2-oxidophenyl)methyl]-2,4,6-trimethylphenyl]methyl]-4,6-ditert-butylphenolate);ethoxyethane;toluene;bis(uranium(4+));carbonate
PubChem CID139181486
Molecular FormulaC124H178O11U2
Molecular Weight2320.83 g/mol
Exact Mass2319.44
IUPAC Namebis(2-[[3,5-bis[(3,5-ditert-butyl-2-oxidophenyl)methyl]-2,4,6-trimethylphenyl]methyl]-4,6-ditert-butylphenolate);ethoxyethane;toluene;bis(uranium(4+));carbonate
SMILESCCOCC.CCOCC.Cc1c(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c(C)c(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c(C)c1Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].Cc1c(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c(C)c(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c(C)c1Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].Cc1ccccc1.O=C([O-])[O-].[U+4].[U+4]
InChIInChI=1S/2C54H78O3.C7H8.2C4H10O.CH2O3.2U/c2*1-31-40(25-34-22-37(49(4,5)6)28-43(46(34)55)52(13,14)15)32(2)42(27-36-24-39(51(10,11)12)30-45(48(36)57)54(19,20)21)33(3)41(31)26-35-23-38(50(7,8)9)29-44(47(35)56)53(16,17)18;1-7-5-3-2-4-6-7;2*1-3-5-4-2;2-1(3)4;;/h2*22-24,28-30,55-57H,25-27H2,1-21H3;2-6H,1H3;2*3-4H2,1-2H3;(H2,2,3,4);;/q;;;;;;2*+4/p-8
InChIKeyXVDPUPWMPQQIBF-UHFFFAOYSA-F
XLogP26.41
TPSA220.01 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002320.83
LogP ≤ 526.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze bis(2-[[3,5-bis[(3,5-ditert-butyl-2-oxidophenyl)methyl]-2,4,6-trimethylphenyl]methyl]-4,6-ditert-butylphenolate);ethoxyethane;toluene;bis(uranium(4+));carbonate with MolForge

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Related Compounds

bis(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenolate);toluene;bis(ytterbium(2+))
CID 139149286
2-[[2-[2-[2-[bis[(3,5-ditert-butyl-2-oxidophenyl)methyl]amino]ethoxy]ethoxy]ethyl-[(3,5-ditert-butyl-2-oxidophenyl)methyl]amino]methyl]-4,6-ditert-butylphenolate;tetrakis(2-methylpropan-2-olate);toluene;bis(zirconium(4+))
CID 139137987
acetonitrile;2-[[3,5-bis[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-4,6-ditert-butylphenol
CID 139127127
bis(2,4-ditert-butyl-6-[[N-[(3,5-ditert-butyl-2-oxidophenyl)methyl]-2-oxidoanilino]methyl]phenolate);bis(propan-2-olate);toluene;1,4-xylene;bis(zirconium(4+))
CID 139150162
chromium(2+);bis(2,4-ditert-butyl-6-carboxyphenolate)
CID 54696006
ethyl acetate;toluene
CID 66707740
ethyl acetate;toluene
CID 70093554
2-tert-butylphenol;toluene
CID 175493501
[3,5-bis[3-[3-tert-butyl-5-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4-hydroxyphenyl]propanoyloxymethyl]-2,4,6-trimethylphenyl]methyl 3-[3-tert-butyl-5-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4-hydroxyphenyl]propanoate
CID 170246362
2-[[bis[(3,5-ditert-butyl-2-oxidophenyl)methyl]amino]methyl]-4,6-ditert-butylphenolate;cyclohepta-2,4,6-triene-1,2-diolate;titanium(4+)
CID 139126212
ethoxyethane benzoate
CID 22178435
potassium 4-(2-bromo-3-ethoxy-2-ethoxycarbonyl-3-oxo-1-phenylpropyl)-2,6-ditert-butylphenolate
CID 101466425

Frequently Asked Questions

What is the IUPAC name of bis(2-[[3,5-bis[(3,5-ditert-butyl-2-oxidophenyl)methyl]-2,4,6-trimethylphenyl]methyl]-4,6-ditert-butylphenolate);ethoxyethane;toluene;bis(uranium(4+));carbonate?
The IUPAC name of bis(2-[[3,5-bis[(3,5-ditert-butyl-2-oxidophenyl)methyl]-2,4,6-trimethylphenyl]methyl]-4,6-ditert-butylphenolate);ethoxyethane;toluene;bis(uranium(4+));carbonate (CID 139181486) is bis(2-[[3,5-bis[(3,5-ditert-butyl-2-oxidophenyl)methyl]-2,4,6-trimethylphenyl]methyl]-4,6-ditert-butylphenolate);ethoxyethane;toluene;bis(uranium(4+));carbonate.
What is the SMILES notation for bis(2-[[3,5-bis[(3,5-ditert-butyl-2-oxidophenyl)methyl]-2,4,6-trimethylphenyl]methyl]-4,6-ditert-butylphenolate);ethoxyethane;toluene;bis(uranium(4+));carbonate?
The canonical SMILES for bis(2-[[3,5-bis[(3,5-ditert-butyl-2-oxidophenyl)methyl]-2,4,6-trimethylphenyl]methyl]-4,6-ditert-butylphenolate);ethoxyethane;toluene;bis(uranium(4+));carbonate is CCOCC.CCOCC.Cc1c(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c(C)c(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c(C)c1Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].Cc1c(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c(C)c(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c(C)c1Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].Cc1ccccc1.O=C([O-])[O-].[U+4].[U+4].
What is the InChIKey of bis(2-[[3,5-bis[(3,5-ditert-butyl-2-oxidophenyl)methyl]-2,4,6-trimethylphenyl]methyl]-4,6-ditert-butylphenolate);ethoxyethane;toluene;bis(uranium(4+));carbonate?
The InChIKey is XVDPUPWMPQQIBF-UHFFFAOYSA-F. The full InChI is InChI=1S/2C54H78O3.C7H8.2C4H10O.CH2O3.2U/c2*1-31-40(25-34-22-37(49(4,5)6)28-43(46(34)55)52(13,14)15)32(2)42(27-36-24-39(51(10,11)12)30-45(48(36)57)54(19,20)21)33(3)41(31)26-35-23-38(50(7,8)9)29-44(47(35)56)53(16,17)18;1-7-5-3-2-4-6-7;2*1-3-5-4-2;2-1(3)4;;/h2*22-24,28-30,55-57H,25-27H2,1-21H3;2-6H,1H3;2*3-4H2,1-2H3;(H2,2,3,4);;/q;;;;;;2*+4/p-8.
What are the key properties of bis(2-[[3,5-bis[(3,5-ditert-butyl-2-oxidophenyl)methyl]-2,4,6-trimethylphenyl]methyl]-4,6-ditert-butylphenolate);ethoxyethane;toluene;bis(uranium(4+));carbonate?
bis(2-[[3,5-bis[(3,5-ditert-butyl-2-oxidophenyl)methyl]-2,4,6-trimethylphenyl]methyl]-4,6-ditert-butylphenolate);ethoxyethane;toluene;bis(uranium(4+));carbonate has a molecular weight of 2320.83 g/mol, XLogP of 26.41, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[[3,5-bis[(3,5-ditert-butyl-2-oxidophenyl)methyl]-2,4,6-trimethylphenyl]methyl]-4,6-ditert-butylphenolate);ethoxyethane;toluene;bis(uranium(4+));carbonate is sourced from PubChem (CID 139181486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).