copper bis(1-[[(1R)-1-phenylethyl]iminomethyl]naphthalen-2-olate)

C38H32CuN2O2 — CID 139163460

IUPACcopper bis(1-[[(1R)-1-phenylethyl]iminomethyl]naphthalen-2-olate)
SMILESC[C@@H](/N=C/c1c([O-])ccc2ccccc12)c1ccccc1.C[C@@H](/N=C/c1c([O-])ccc2ccccc12)c1ccccc1.[Cu+2]
InChIInChI=1S/2C19H17NO.Cu/c2*1-14(15-7-3-2-4-8-15)20-13-18-17-10-6-5-9-16(17)11-12-19(18)21;/h2*2-14,21H,1H3;/q;;+2/p-2/b2*20-13+;/t2*14-;/m11./s1
InChIKeyLZSICZYVJFEDGK-CWMZKAIWSA-L
MW612.23 g/mol
LogP8.18
Rot. Bonds6

About copper bis(1-[[(1R)-1-phenylethyl]iminomethyl]naphthalen-2-olate)

copper bis(1-[[(1R)-1-phenylethyl]iminomethyl]naphthalen-2-olate) (PubChem CID 139163460) has the molecular formula C38H32CuN2O2 and a molecular weight of 612.23 g/mol. Its IUPAC name is copper bis(1-[[(1R)-1-phenylethyl]iminomethyl]naphthalen-2-olate).

Molecular Properties

Compound Namecopper bis(1-[[(1R)-1-phenylethyl]iminomethyl]naphthalen-2-olate)
PubChem CID139163460
Molecular FormulaC38H32CuN2O2
Molecular Weight612.23 g/mol
Exact Mass611.18
IUPAC Namecopper bis(1-[[(1R)-1-phenylethyl]iminomethyl]naphthalen-2-olate)
SMILESC[C@@H](/N=C/c1c([O-])ccc2ccccc12)c1ccccc1.C[C@@H](/N=C/c1c([O-])ccc2ccccc12)c1ccccc1.[Cu+2]
InChIInChI=1S/2C19H17NO.Cu/c2*1-14(15-7-3-2-4-8-15)20-13-18-17-10-6-5-9-16(17)11-12-19(18)21;/h2*2-14,21H,1H3;/q;;+2/p-2/b2*20-13+;/t2*14-;/m11./s1
InChIKeyLZSICZYVJFEDGK-CWMZKAIWSA-L
XLogP8.18
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.23
LogP ≤ 58.18
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

palladium;bis(2-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-1-ol)
CID 139246617
(2S)-3,3-dimethyl-2-[(2-oxidonaphthalen-1-yl)methylideneamino]butanoate;methanol;methanolate;oxygen(2-);vanadium
CID 139039831
1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol
CID 3576819
dicopper;bis(1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate);bis(pyridine)
CID 139078158
1-(benzhydryliminomethyl)naphthalen-2-ol
CID 135592591
methanol;molybdenum;1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate;bis(oxygen(2-))
CID 139049394
1-(propan-2-yliminomethyl)naphthalen-2-ol
CID 4779256
N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]ethane-1,2-diimine
CID 148629310
1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol
CID 136843980
1-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]naphthalen-2-olate
CID 7065258
3-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-2-ol
CID 136773252
2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetic acid
CID 136680557

Frequently Asked Questions

What is the IUPAC name of copper bis(1-[[(1R)-1-phenylethyl]iminomethyl]naphthalen-2-olate)?
The IUPAC name of copper bis(1-[[(1R)-1-phenylethyl]iminomethyl]naphthalen-2-olate) (CID 139163460) is copper bis(1-[[(1R)-1-phenylethyl]iminomethyl]naphthalen-2-olate).
What is the SMILES notation for copper bis(1-[[(1R)-1-phenylethyl]iminomethyl]naphthalen-2-olate)?
The canonical SMILES for copper bis(1-[[(1R)-1-phenylethyl]iminomethyl]naphthalen-2-olate) is C[C@@H](/N=C/c1c([O-])ccc2ccccc12)c1ccccc1.C[C@@H](/N=C/c1c([O-])ccc2ccccc12)c1ccccc1.[Cu+2].
What is the InChIKey of copper bis(1-[[(1R)-1-phenylethyl]iminomethyl]naphthalen-2-olate)?
The InChIKey is LZSICZYVJFEDGK-CWMZKAIWSA-L. The full InChI is InChI=1S/2C19H17NO.Cu/c2*1-14(15-7-3-2-4-8-15)20-13-18-17-10-6-5-9-16(17)11-12-19(18)21;/h2*2-14,21H,1H3;/q;;+2/p-2/b2*20-13+;/t2*14-;/m11./s1.
What are the key properties of copper bis(1-[[(1R)-1-phenylethyl]iminomethyl]naphthalen-2-olate)?
copper bis(1-[[(1R)-1-phenylethyl]iminomethyl]naphthalen-2-olate) has a molecular weight of 612.23 g/mol, XLogP of 8.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(1-[[(1R)-1-phenylethyl]iminomethyl]naphthalen-2-olate) is sourced from PubChem (CID 139163460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).