lithium 2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]diazenyl]phenolate

C26H37LiN2O — CID 59993633

IUPAClithium 2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]diazenyl]phenolate
SMILESCC(C)c1cccc(C(C)C)c1/N=N/c1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].[Li+]
InChIInChI=1S/C26H38N2O.Li/c1-16(2)19-12-11-13-20(17(3)4)23(19)28-27-22-15-18(25(5,6)7)14-21(24(22)29)26(8,9)10;/h11-17,29H,1-10H3;/q;+1/p-1/b28-27+;
InChIKeyQZVKKVBUZSRFKZ-RXQWRGDBSA-M
MW400.54 g/mol
LogP5.02
Rot. Bonds4

About lithium 2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]diazenyl]phenolate

lithium 2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]diazenyl]phenolate (PubChem CID 59993633) has the molecular formula C26H37LiN2O and a molecular weight of 400.54 g/mol. Its IUPAC name is lithium 2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]diazenyl]phenolate.

Molecular Properties

Compound Namelithium 2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]diazenyl]phenolate
PubChem CID59993633
Molecular FormulaC26H37LiN2O
Molecular Weight400.54 g/mol
Exact Mass400.31
IUPAC Namelithium 2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]diazenyl]phenolate
SMILESCC(C)c1cccc(C(C)C)c1/N=N/c1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].[Li+]
InChIInChI=1S/C26H38N2O.Li/c1-16(2)19-12-11-13-20(17(3)4)23(19)28-27-22-15-18(25(5,6)7)14-21(24(22)29)26(8,9)10;/h11-17,29H,1-10H3;/q;+1/p-1/b28-27+;
InChIKeyQZVKKVBUZSRFKZ-RXQWRGDBSA-M
XLogP5.02
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.54
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze lithium 2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]diazenyl]phenolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-ditert-butyl-6-[3-[2,6-di(propan-2-yl)phenyl]iminobutan-2-ylideneamino]phenol
CID 139199827
bis(trimethylsilyl)azanide;bis(2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenolate);lanthanum(3+)
CID 139135535
N-[2,6-di(propan-2-yl)phenyl]-1-(2,4,6-tritert-butylphenyl)phosphanylmethanimine
CID 102325221
1-N-(2,5-ditert-butylphenyl)-2-N-[2,6-di(propan-2-yl)phenyl]cyclohexane-1,2-diimine;nickel
CID 87860447
2-N-(2,5-ditert-butylphenyl)-3-N-[2,6-di(propan-2-yl)phenyl]-1,4-dithiane-2,3-diimine;nickel
CID 87859087
2-N-(2,5-ditert-butylphenyl)-3-N-[2,6-di(propan-2-yl)phenyl]bicyclo[2.2.1]heptane-2,3-diimine;nickel
CID 87860115
1-tert-butyl-2,3-di(propan-2-yl)benzene
CID 58827360
2,4-ditert-butyl-6-[[(E)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]amino]phenol
CID 139158905
1-N-(2,5-ditert-butylphenyl)-2-N-[2,6-di(propan-2-yl)phenyl]-3-methylcyclopentane-1,2-diimine;nickel
CID 87860206
2,4-ditert-butyl-6-[[(6E)-6-[6-(3,5-ditert-butyl-2-oxidophenyl)iminocyclohexa-2,4-dien-1-ylidene]cyclohexa-2,4-dien-1-ylidene]amino]phenolate
CID 102034435
2-tert-butyl-6-propan-2-ylbenzenethiol
CID 175036123
4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[hydroxy(diphenyl)methyl]phenol
CID 136747675

Frequently Asked Questions

What is the IUPAC name of lithium 2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]diazenyl]phenolate?
The IUPAC name of lithium 2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]diazenyl]phenolate (CID 59993633) is lithium 2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]diazenyl]phenolate.
What is the SMILES notation for lithium 2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]diazenyl]phenolate?
The canonical SMILES for lithium 2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]diazenyl]phenolate is CC(C)c1cccc(C(C)C)c1/N=N/c1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].[Li+].
What is the InChIKey of lithium 2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]diazenyl]phenolate?
The InChIKey is QZVKKVBUZSRFKZ-RXQWRGDBSA-M. The full InChI is InChI=1S/C26H38N2O.Li/c1-16(2)19-12-11-13-20(17(3)4)23(19)28-27-22-15-18(25(5,6)7)14-21(24(22)29)26(8,9)10;/h11-17,29H,1-10H3;/q;+1/p-1/b28-27+;.
What are the key properties of lithium 2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]diazenyl]phenolate?
lithium 2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]diazenyl]phenolate has a molecular weight of 400.54 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]diazenyl]phenolate is sourced from PubChem (CID 59993633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).