4-tert-butyl-2-[[1-[2-[(5-tert-butyl-2-hydroxy-3-phenylsulfanylphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-phenylsulfanylphenol;copper

C54H48CuN2O2S2 — CID 135442203

IUPAC4-tert-butyl-2-[[1-[2-[(5-tert-butyl-2-hydroxy-3-phenylsulfanylphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-phenylsulfanylphenol;copper
SMILESCC(C)(C)c1cc(/C=N\c2ccc3ccccc3c2-c2c(/N=C/c3cc(C(C)(C)C)cc(Sc4ccccc4)c3O)ccc3ccccc23)c(O)c(Sc2ccccc2)c1.[Cu]
InChIInChI=1S/C54H48N2O2S2.Cu/c1-53(2,3)39-29-37(51(57)47(31-39)59-41-19-9-7-10-20-41)33-55-45-27-25-35-17-13-15-23-43(35)49(45)50-44-24-16-14-18-36(44)26-28-46(50)56-34-38-30-40(54(4,5)6)32-48(52(38)58)60-42-21-11-8-12-22-42;/h7-34,57-58H,1-6H3;/b55-33-,56-34+;
InChIKeyPAHIQVSLKURBIQ-WNKDXZCQSA-N
MW884.67 g/mol
LogP15.47
Rot. Bonds9

About 4-tert-butyl-2-[[1-[2-[(5-tert-butyl-2-hydroxy-3-phenylsulfanylphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-phenylsulfanylphenol;copper

4-tert-butyl-2-[[1-[2-[(5-tert-butyl-2-hydroxy-3-phenylsulfanylphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-phenylsulfanylphenol;copper (PubChem CID 135442203) has the molecular formula C54H48CuN2O2S2 and a molecular weight of 884.67 g/mol. Its IUPAC name is 4-tert-butyl-2-[[1-[2-[(5-tert-butyl-2-hydroxy-3-phenylsulfanylphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-phenylsulfanylphenol;copper.

Molecular Properties

Compound Name4-tert-butyl-2-[[1-[2-[(5-tert-butyl-2-hydroxy-3-phenylsulfanylphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-phenylsulfanylphenol;copper
PubChem CID135442203
Molecular FormulaC54H48CuN2O2S2
Molecular Weight884.67 g/mol
Exact Mass883.25
IUPAC Name4-tert-butyl-2-[[1-[2-[(5-tert-butyl-2-hydroxy-3-phenylsulfanylphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-phenylsulfanylphenol;copper
SMILESCC(C)(C)c1cc(/C=N\c2ccc3ccccc3c2-c2c(/N=C/c3cc(C(C)(C)C)cc(Sc4ccccc4)c3O)ccc3ccccc23)c(O)c(Sc2ccccc2)c1.[Cu]
InChIInChI=1S/C54H48N2O2S2.Cu/c1-53(2,3)39-29-37(51(57)47(31-39)59-41-19-9-7-10-20-41)33-55-45-27-25-35-17-13-15-23-43(35)49(45)50-44-24-16-14-18-36(44)26-28-46(50)56-34-38-30-40(54(4,5)6)32-48(52(38)58)60-42-21-11-8-12-22-42;/h7-34,57-58H,1-6H3;/b55-33-,56-34+;
InChIKeyPAHIQVSLKURBIQ-WNKDXZCQSA-N
XLogP15.47
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.67
LogP ≤ 515.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[[1-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-tert-butylphenol
CID 136702081
2-tert-butyl-6-[[1-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]phenol
CID 135414322
2,4-ditert-butyl-6-[(2-phenylsulfanylphenyl)iminomethyl]phenol;trichlorotitanium
CID 135475785
2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol
CID 136912130
2-[[1-[2-[[2-hydroxy-5-methyl-3-(2,4,6-trimethylphenyl)phenyl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methyl-6-(2,4,6-trimethylphenyl)phenol
CID 136845962
2,4-ditert-butyl-6-phenylsulfanylphenol
CID 12058921
2-[[1-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-methoxyphenol
CID 135858781
chromium;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;ethane
CID 155737356
2,4-ditert-butyl-6-[(2-sulfanylphenyl)iminomethyl]phenol;titanium
CID 160643890
2-[[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-4,6-dimethylphenol
CID 135735822
2-[[1-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methoxyphenol
CID 136677845
2-[[1-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-5-methoxyphenol
CID 136721460

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[1-[2-[(5-tert-butyl-2-hydroxy-3-phenylsulfanylphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-phenylsulfanylphenol;copper?
The IUPAC name of 4-tert-butyl-2-[[1-[2-[(5-tert-butyl-2-hydroxy-3-phenylsulfanylphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-phenylsulfanylphenol;copper (CID 135442203) is 4-tert-butyl-2-[[1-[2-[(5-tert-butyl-2-hydroxy-3-phenylsulfanylphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-phenylsulfanylphenol;copper.
What is the SMILES notation for 4-tert-butyl-2-[[1-[2-[(5-tert-butyl-2-hydroxy-3-phenylsulfanylphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-phenylsulfanylphenol;copper?
The canonical SMILES for 4-tert-butyl-2-[[1-[2-[(5-tert-butyl-2-hydroxy-3-phenylsulfanylphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-phenylsulfanylphenol;copper is CC(C)(C)c1cc(/C=N\c2ccc3ccccc3c2-c2c(/N=C/c3cc(C(C)(C)C)cc(Sc4ccccc4)c3O)ccc3ccccc23)c(O)c(Sc2ccccc2)c1.[Cu].
What is the InChIKey of 4-tert-butyl-2-[[1-[2-[(5-tert-butyl-2-hydroxy-3-phenylsulfanylphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-phenylsulfanylphenol;copper?
The InChIKey is PAHIQVSLKURBIQ-WNKDXZCQSA-N. The full InChI is InChI=1S/C54H48N2O2S2.Cu/c1-53(2,3)39-29-37(51(57)47(31-39)59-41-19-9-7-10-20-41)33-55-45-27-25-35-17-13-15-23-43(35)49(45)50-44-24-16-14-18-36(44)26-28-46(50)56-34-38-30-40(54(4,5)6)32-48(52(38)58)60-42-21-11-8-12-22-42;/h7-34,57-58H,1-6H3;/b55-33-,56-34+;.
What are the key properties of 4-tert-butyl-2-[[1-[2-[(5-tert-butyl-2-hydroxy-3-phenylsulfanylphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-phenylsulfanylphenol;copper?
4-tert-butyl-2-[[1-[2-[(5-tert-butyl-2-hydroxy-3-phenylsulfanylphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-phenylsulfanylphenol;copper has a molecular weight of 884.67 g/mol, XLogP of 15.47, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[1-[2-[(5-tert-butyl-2-hydroxy-3-phenylsulfanylphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-phenylsulfanylphenol;copper is sourced from PubChem (CID 135442203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).