copper;2-[[2-hydroxy-4-(methyldiazenyl)phenyl]diazenyl]-6-methylnaphthalen-1-ol;methoxymethane;sulfur trioxide

C20H22CuN4O6S — CID 159809926

IUPACcopper;2-[[2-hydroxy-4-(methyldiazenyl)phenyl]diazenyl]-6-methylnaphthalen-1-ol;methoxymethane;sulfur trioxide
SMILESC/N=N/c1ccc(/N=N\c2ccc3cc(C)ccc3c2O)c(O)c1.COC.O=S(=O)=O.[Cu]
InChIInChI=1S/C18H16N4O2.C2H6O.Cu.O3S/c1-11-3-6-14-12(9-11)4-7-16(18(14)24)22-21-15-8-5-13(20-19-2)10-17(15)23;1-3-2;;1-4(2)3/h3-10,23-24H,1-2H3;1-2H3;;/b20-19+,22-21-;;;
InChIKeyGHJYUVIMOZLHPD-HMMMLOOPSA-N
MW510.03 g/mol
LogP4.94
Rot. Bonds3

About copper;2-[[2-hydroxy-4-(methyldiazenyl)phenyl]diazenyl]-6-methylnaphthalen-1-ol;methoxymethane;sulfur trioxide

copper;2-[[2-hydroxy-4-(methyldiazenyl)phenyl]diazenyl]-6-methylnaphthalen-1-ol;methoxymethane;sulfur trioxide (PubChem CID 159809926) has the molecular formula C20H22CuN4O6S and a molecular weight of 510.03 g/mol. Its IUPAC name is copper;2-[[2-hydroxy-4-(methyldiazenyl)phenyl]diazenyl]-6-methylnaphthalen-1-ol;methoxymethane;sulfur trioxide.

Molecular Properties

Compound Namecopper;2-[[2-hydroxy-4-(methyldiazenyl)phenyl]diazenyl]-6-methylnaphthalen-1-ol;methoxymethane;sulfur trioxide
PubChem CID159809926
Molecular FormulaC20H22CuN4O6S
Molecular Weight510.03 g/mol
Exact Mass509.06
IUPAC Namecopper;2-[[2-hydroxy-4-(methyldiazenyl)phenyl]diazenyl]-6-methylnaphthalen-1-ol;methoxymethane;sulfur trioxide
SMILESC/N=N/c1ccc(/N=N\c2ccc3cc(C)ccc3c2O)c(O)c1.COC.O=S(=O)=O.[Cu]
InChIInChI=1S/C18H16N4O2.C2H6O.Cu.O3S/c1-11-3-6-14-12(9-11)4-7-16(18(14)24)22-21-15-8-5-13(20-19-2)10-17(15)23;1-3-2;;1-4(2)3/h3-10,23-24H,1-2H3;1-2H3;;/b20-19+,22-21-;;;
InChIKeyGHJYUVIMOZLHPD-HMMMLOOPSA-N
XLogP4.94
TPSA150.34 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.03
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;2-[[2-hydroxy-4-(methyldiazenyl)phenyl]diazenyl]-6-methylnaphthalen-1-ol;methoxymethane;sulfur trioxide?
The IUPAC name of copper;2-[[2-hydroxy-4-(methyldiazenyl)phenyl]diazenyl]-6-methylnaphthalen-1-ol;methoxymethane;sulfur trioxide (CID 159809926) is copper;2-[[2-hydroxy-4-(methyldiazenyl)phenyl]diazenyl]-6-methylnaphthalen-1-ol;methoxymethane;sulfur trioxide.
What is the SMILES notation for copper;2-[[2-hydroxy-4-(methyldiazenyl)phenyl]diazenyl]-6-methylnaphthalen-1-ol;methoxymethane;sulfur trioxide?
The canonical SMILES for copper;2-[[2-hydroxy-4-(methyldiazenyl)phenyl]diazenyl]-6-methylnaphthalen-1-ol;methoxymethane;sulfur trioxide is C/N=N/c1ccc(/N=N\c2ccc3cc(C)ccc3c2O)c(O)c1.COC.O=S(=O)=O.[Cu].
What is the InChIKey of copper;2-[[2-hydroxy-4-(methyldiazenyl)phenyl]diazenyl]-6-methylnaphthalen-1-ol;methoxymethane;sulfur trioxide?
The InChIKey is GHJYUVIMOZLHPD-HMMMLOOPSA-N. The full InChI is InChI=1S/C18H16N4O2.C2H6O.Cu.O3S/c1-11-3-6-14-12(9-11)4-7-16(18(14)24)22-21-15-8-5-13(20-19-2)10-17(15)23;1-3-2;;1-4(2)3/h3-10,23-24H,1-2H3;1-2H3;;/b20-19+,22-21-;;;.
What are the key properties of copper;2-[[2-hydroxy-4-(methyldiazenyl)phenyl]diazenyl]-6-methylnaphthalen-1-ol;methoxymethane;sulfur trioxide?
copper;2-[[2-hydroxy-4-(methyldiazenyl)phenyl]diazenyl]-6-methylnaphthalen-1-ol;methoxymethane;sulfur trioxide has a molecular weight of 510.03 g/mol, XLogP of 4.94, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-[[2-hydroxy-4-(methyldiazenyl)phenyl]diazenyl]-6-methylnaphthalen-1-ol;methoxymethane;sulfur trioxide is sourced from PubChem (CID 159809926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).