copper 2,4-ditert-butyl-6-[[2-[(S)-methoxy(pyridin-2-yl)methyl]azanidylphenyl]methylideneamino]phenolate

C28H33CuN3O2 — CID 139173504

IUPACcopper 2,4-ditert-butyl-6-[[2-[(S)-methoxy(pyridin-2-yl)methyl]azanidylphenyl]methylideneamino]phenolate
SMILESCO[C@H]([N-]c1ccccc1/C=N/c1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-])c1ccccn1.[Cu+2]
InChIInChI=1S/C28H34N3O2.Cu/c1-27(2,3)20-16-21(28(4,5)6)25(32)24(17-20)30-18-19-12-8-9-13-22(19)31-26(33-7)23-14-10-11-15-29-23;/h8-18,26H,1-7H3,(H-,30,31,32);/q-1;+2/p-1/t26-;/m0./s1
InChIKeyCEHSUHQDNIYGGR-SNYZSRNZSA-M
MW507.14 g/mol
LogP6.85
Rot. Bonds6

About copper 2,4-ditert-butyl-6-[[2-[(S)-methoxy(pyridin-2-yl)methyl]azanidylphenyl]methylideneamino]phenolate

copper 2,4-ditert-butyl-6-[[2-[(S)-methoxy(pyridin-2-yl)methyl]azanidylphenyl]methylideneamino]phenolate (PubChem CID 139173504) has the molecular formula C28H33CuN3O2 and a molecular weight of 507.14 g/mol. Its IUPAC name is copper 2,4-ditert-butyl-6-[[2-[(S)-methoxy(pyridin-2-yl)methyl]azanidylphenyl]methylideneamino]phenolate.

Molecular Properties

Compound Namecopper 2,4-ditert-butyl-6-[[2-[(S)-methoxy(pyridin-2-yl)methyl]azanidylphenyl]methylideneamino]phenolate
PubChem CID139173504
Molecular FormulaC28H33CuN3O2
Molecular Weight507.14 g/mol
Exact Mass506.19
IUPAC Namecopper 2,4-ditert-butyl-6-[[2-[(S)-methoxy(pyridin-2-yl)methyl]azanidylphenyl]methylideneamino]phenolate
SMILESCO[C@H]([N-]c1ccccc1/C=N/c1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-])c1ccccn1.[Cu+2]
InChIInChI=1S/C28H34N3O2.Cu/c1-27(2,3)20-16-21(28(4,5)6)25(32)24(17-20)30-18-19-12-8-9-13-22(19)31-26(33-7)23-14-10-11-15-29-23;/h8-18,26H,1-7H3,(H-,30,31,32);/q-1;+2/p-1/t26-;/m0./s1
InChIKeyCEHSUHQDNIYGGR-SNYZSRNZSA-M
XLogP6.85
TPSA71.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.14
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;2,4-ditert-butyl-6-[2-(trifluoromethyl)phenyl]azanidylphenolate;palladium(2+)
CID 139151492
4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;2,4-ditert-butyl-6-[2-(trifluoromethyl)phenyl]azanidylphenolate;palladium;hexafluorophosphate
CID 139151493
Benzene;4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;2,4-ditert-butyl-6-[2,6-di(propan-2-yl)phenyl]azanidylphenolate;nickel(2+)
CID 139047678
Benzene;4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;10-[2,6-di(propan-2-yl)phenyl]azanidylphenanthren-9-olate;ethoxyethane;nickel(2+)
CID 139047679
2,4-Ditert-butyl-6-phenylazanidylphenolate;palladium(2+);2-pyridin-2-ylpyridine
CID 139133128
2,4-Ditert-butyl-6-phenylazanidylphenolate;palladium;2-pyridin-2-ylpyridine;hexafluorophosphate
CID 139133129
2,4-Ditert-butyl-6-phenylazanidylphenolate;platinum(2+);2-pyridin-2-ylpyridine
CID 139133130
2,4-Ditert-butyl-6-phenylazanidylphenolate;platinum;2-pyridin-2-ylpyridine;hexafluorophosphate
CID 139133131
(tBuClip)Mo(O)(Lut) . CH3CN
CID 139136895
2,4-ditert-butyl-6-[[2-[(S)-methoxy(pyridin-2-yl)methyl]azanidylphenyl]methylideneamino]phenolate;nickel(2+)
CID 139173502
2,4-ditert-butyl-6-[[2-[(R)-methoxy(pyridin-2-yl)methyl]azanidylphenyl]methylideneamino]phenolate;nickel(2+)
CID 139173505
bis(2,4-ditert-butyl-6-[[2-[(S)-methoxy(pyridin-2-yl)methyl]azanidylphenyl]methylideneamino]phenolate);bis(iron(3+));oxygen(2-)
CID 168302773

Frequently Asked Questions

What is the IUPAC name of copper 2,4-ditert-butyl-6-[[2-[(S)-methoxy(pyridin-2-yl)methyl]azanidylphenyl]methylideneamino]phenolate?
The IUPAC name of copper 2,4-ditert-butyl-6-[[2-[(S)-methoxy(pyridin-2-yl)methyl]azanidylphenyl]methylideneamino]phenolate (CID 139173504) is copper 2,4-ditert-butyl-6-[[2-[(S)-methoxy(pyridin-2-yl)methyl]azanidylphenyl]methylideneamino]phenolate.
What is the SMILES notation for copper 2,4-ditert-butyl-6-[[2-[(S)-methoxy(pyridin-2-yl)methyl]azanidylphenyl]methylideneamino]phenolate?
The canonical SMILES for copper 2,4-ditert-butyl-6-[[2-[(S)-methoxy(pyridin-2-yl)methyl]azanidylphenyl]methylideneamino]phenolate is CO[C@H]([N-]c1ccccc1/C=N/c1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-])c1ccccn1.[Cu+2].
What is the InChIKey of copper 2,4-ditert-butyl-6-[[2-[(S)-methoxy(pyridin-2-yl)methyl]azanidylphenyl]methylideneamino]phenolate?
The InChIKey is CEHSUHQDNIYGGR-SNYZSRNZSA-M. The full InChI is InChI=1S/C28H34N3O2.Cu/c1-27(2,3)20-16-21(28(4,5)6)25(32)24(17-20)30-18-19-12-8-9-13-22(19)31-26(33-7)23-14-10-11-15-29-23;/h8-18,26H,1-7H3,(H-,30,31,32);/q-1;+2/p-1/t26-;/m0./s1.
What are the key properties of copper 2,4-ditert-butyl-6-[[2-[(S)-methoxy(pyridin-2-yl)methyl]azanidylphenyl]methylideneamino]phenolate?
copper 2,4-ditert-butyl-6-[[2-[(S)-methoxy(pyridin-2-yl)methyl]azanidylphenyl]methylideneamino]phenolate has a molecular weight of 507.14 g/mol, XLogP of 6.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper 2,4-ditert-butyl-6-[[2-[(S)-methoxy(pyridin-2-yl)methyl]azanidylphenyl]methylideneamino]phenolate is sourced from PubChem (CID 139173504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).