bis(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenolate);hexane;tetrakis(oxygen(2-));bis(pyridine);uranium

C84H132N6O8U2-12 — CID 139180969

IUPACbis(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenolate);hexane;tetrakis(oxygen(2-));bis(pyridine);uranium
SMILESCCCCCC.CN(CCN(C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-])Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].CN(CCN(C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-])Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].[O-2].[O-2].[O-2].[O-2].[U].[U].c1ccncc1.c1ccncc1
InChIInChI=1S/2C34H56N2O2.C6H14.2C5H5N.4O.2U/c2*1-31(2,3)25-17-23(29(37)27(19-25)33(7,8)9)21-35(13)15-16-36(14)22-24-18-26(32(4,5)6)20-28(30(24)38)34(10,11)12;1-3-5-6-4-2;2*1-2-4-6-5-3-1;;;;;;/h2*17-20,37-38H,15-16,21-22H2,1-14H3;3-6H2,1-2H3;2*1-5H;;;;;;/q;;;;;4*-2;;/p-4
InChIKeyCAODXLODIOBZPU-UHFFFAOYSA-J
MW1830.07 g/mol
LogP17.45
Rot. Bonds17

About bis(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenolate);hexane;tetrakis(oxygen(2-));bis(pyridine);uranium

bis(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenolate);hexane;tetrakis(oxygen(2-));bis(pyridine);uranium (PubChem CID 139180969) has the molecular formula C84H132N6O8U2-12 and a molecular weight of 1830.07 g/mol. Its IUPAC name is bis(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenolate);hexane;tetrakis(oxygen(2-));bis(pyridine);uranium.

Molecular Properties

Compound Namebis(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenolate);hexane;tetrakis(oxygen(2-));bis(pyridine);uranium
PubChem CID139180969
Molecular FormulaC84H132N6O8U2-12
Molecular Weight1830.07 g/mol
Exact Mass1829.12
IUPAC Namebis(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenolate);hexane;tetrakis(oxygen(2-));bis(pyridine);uranium
SMILESCCCCCC.CN(CCN(C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-])Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].CN(CCN(C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-])Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].[O-2].[O-2].[O-2].[O-2].[U].[U].c1ccncc1.c1ccncc1
InChIInChI=1S/2C34H56N2O2.C6H14.2C5H5N.4O.2U/c2*1-31(2,3)25-17-23(29(37)27(19-25)33(7,8)9)21-35(13)15-16-36(14)22-24-18-26(32(4,5)6)20-28(30(24)38)34(10,11)12;1-3-5-6-4-2;2*1-2-4-6-5-3-1;;;;;;/h2*17-20,37-38H,15-16,21-22H2,1-14H3;3-6H2,1-2H3;2*1-5H;;;;;;/q;;;;;4*-2;;/p-4
InChIKeyCAODXLODIOBZPU-UHFFFAOYSA-J
XLogP17.45
TPSA244.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001830.07
LogP ≤ 517.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenolate);hexane;tetrakis(oxygen(2-));bis(pyridine);uranium?
The IUPAC name of bis(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenolate);hexane;tetrakis(oxygen(2-));bis(pyridine);uranium (CID 139180969) is bis(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenolate);hexane;tetrakis(oxygen(2-));bis(pyridine);uranium.
What is the SMILES notation for bis(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenolate);hexane;tetrakis(oxygen(2-));bis(pyridine);uranium?
The canonical SMILES for bis(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenolate);hexane;tetrakis(oxygen(2-));bis(pyridine);uranium is CCCCCC.CN(CCN(C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-])Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].CN(CCN(C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-])Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].[O-2].[O-2].[O-2].[O-2].[U].[U].c1ccncc1.c1ccncc1.
What is the InChIKey of bis(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenolate);hexane;tetrakis(oxygen(2-));bis(pyridine);uranium?
The InChIKey is CAODXLODIOBZPU-UHFFFAOYSA-J. The full InChI is InChI=1S/2C34H56N2O2.C6H14.2C5H5N.4O.2U/c2*1-31(2,3)25-17-23(29(37)27(19-25)33(7,8)9)21-35(13)15-16-36(14)22-24-18-26(32(4,5)6)20-28(30(24)38)34(10,11)12;1-3-5-6-4-2;2*1-2-4-6-5-3-1;;;;;;/h2*17-20,37-38H,15-16,21-22H2,1-14H3;3-6H2,1-2H3;2*1-5H;;;;;;/q;;;;;4*-2;;/p-4.
What are the key properties of bis(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenolate);hexane;tetrakis(oxygen(2-));bis(pyridine);uranium?
bis(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenolate);hexane;tetrakis(oxygen(2-));bis(pyridine);uranium has a molecular weight of 1830.07 g/mol, XLogP of 17.45, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenolate);hexane;tetrakis(oxygen(2-));bis(pyridine);uranium is sourced from PubChem (CID 139180969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).