benzene;octakis(2,6-ditert-butylphenolate);tetrakis(uranium(2+))

C160H216O8U4 — CID 139040418

IUPACbenzene;octakis(2,6-ditert-butylphenolate);tetrakis(uranium(2+))
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].[U+2].[U+2].[U+2].[U+2].c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/8C14H22O.8C6H6.4U/c8*1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;8*1-2-4-6-5-3-1;;;;/h8*7-9,15H,1-6H3;8*1-6H;;;;/q;;;;;;;;;;;;;;;;4*+2/p-8
InChIKeyXCCQOQZIMIHUCI-UHFFFAOYSA-F
MW3219.60 g/mol
LogP40.33
Rot. Bonds

About benzene;octakis(2,6-ditert-butylphenolate);tetrakis(uranium(2+))

benzene;octakis(2,6-ditert-butylphenolate);tetrakis(uranium(2+)) (PubChem CID 139040418) has the molecular formula C160H216O8U4 and a molecular weight of 3219.60 g/mol. Its IUPAC name is benzene;octakis(2,6-ditert-butylphenolate);tetrakis(uranium(2+)).

Molecular Properties

Compound Namebenzene;octakis(2,6-ditert-butylphenolate);tetrakis(uranium(2+))
PubChem CID139040418
Molecular FormulaC160H216O8U4
Molecular Weight3219.60 g/mol
Exact Mass3217.85
IUPAC Namebenzene;octakis(2,6-ditert-butylphenolate);tetrakis(uranium(2+))
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].[U+2].[U+2].[U+2].[U+2].c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/8C14H22O.8C6H6.4U/c8*1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;8*1-2-4-6-5-3-1;;;;/h8*7-9,15H,1-6H3;8*1-6H;;;;/q;;;;;;;;;;;;;;;;4*+2/p-8
InChIKeyXCCQOQZIMIHUCI-UHFFFAOYSA-F
XLogP40.33
TPSA184.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003219.60
LogP ≤ 540.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

sodium 2,6-ditert-butylphenolate
CID 23662146
bis(trimethylsilyl)azanide;2,6-ditert-butylphenolate;molecular hydrogen;uranium(2+)
CID 102457995
calcium;bis(2,6-ditert-butylphenolate);oxolane
CID 139089230
CID 175472927
CID 175472927
bis(2,6-ditert-butylphenolate);dichlororuthenium(2+);methylaluminum(2+);tetrachloromethane;tris(triphenylphosphane)
CID 173064606
potassium 2-tert-butylphenolate
CID 23663693
3-tert-butyl-2-carboxyphenolate
CID 54716567
tris(1,2-ditert-butylbenzene);methanol
CID 175055057
2-tert-butylphenol;toluene
CID 175493501
2-tert-butyl-6-[[(1S,2R)-2-[(3-tert-butyl-2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate;oxygen(2-);vanadium(4+)
CID 139057710
bis(2,6-ditert-butylphenyl)phosphane
CID 158181419
CID 54253444
CID 54253444

Frequently Asked Questions

What is the IUPAC name of benzene;octakis(2,6-ditert-butylphenolate);tetrakis(uranium(2+))?
The IUPAC name of benzene;octakis(2,6-ditert-butylphenolate);tetrakis(uranium(2+)) (CID 139040418) is benzene;octakis(2,6-ditert-butylphenolate);tetrakis(uranium(2+)).
What is the SMILES notation for benzene;octakis(2,6-ditert-butylphenolate);tetrakis(uranium(2+))?
The canonical SMILES for benzene;octakis(2,6-ditert-butylphenolate);tetrakis(uranium(2+)) is CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].[U+2].[U+2].[U+2].[U+2].c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;octakis(2,6-ditert-butylphenolate);tetrakis(uranium(2+))?
The InChIKey is XCCQOQZIMIHUCI-UHFFFAOYSA-F. The full InChI is InChI=1S/8C14H22O.8C6H6.4U/c8*1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;8*1-2-4-6-5-3-1;;;;/h8*7-9,15H,1-6H3;8*1-6H;;;;/q;;;;;;;;;;;;;;;;4*+2/p-8.
What are the key properties of benzene;octakis(2,6-ditert-butylphenolate);tetrakis(uranium(2+))?
benzene;octakis(2,6-ditert-butylphenolate);tetrakis(uranium(2+)) has a molecular weight of 3219.60 g/mol, XLogP of 40.33, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;octakis(2,6-ditert-butylphenolate);tetrakis(uranium(2+)) is sourced from PubChem (CID 139040418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).