copper;ethane;(2-hydroxyphenyl)-[[[[2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide

C28H38CuN4O2 — CID 161283848

IUPACcopper;ethane;(2-hydroxyphenyl)-[[[[2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide
SMILESCC.CC.CC.CC.O=[C-]c1ccccc1/N=N/C(=N[N-]c1ccccc1O)c1ccccc1.[Cu+2]
InChIInChI=1S/C20H14N4O2.4C2H6.Cu/c25-14-16-10-4-5-11-17(16)21-23-20(15-8-2-1-3-9-15)24-22-18-12-6-7-13-19(18)26;4*1-2;/h1-13H,(H-,21,22,23,24,25,26);4*1-2H3;/q-2;;;;;+2
InChIKeyDNFWJGVZTBJZBG-UHFFFAOYSA-N
MW526.18 g/mol
LogP9.10
Rot. Bonds5

About copper;ethane;(2-hydroxyphenyl)-[[[[2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide

copper;ethane;(2-hydroxyphenyl)-[[[[2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide (PubChem CID 161283848) has the molecular formula C28H38CuN4O2 and a molecular weight of 526.18 g/mol. Its IUPAC name is copper;ethane;(2-hydroxyphenyl)-[[[[2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide.

Molecular Properties

Compound Namecopper;ethane;(2-hydroxyphenyl)-[[[[2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide
PubChem CID161283848
Molecular FormulaC28H38CuN4O2
Molecular Weight526.18 g/mol
Exact Mass525.23
IUPAC Namecopper;ethane;(2-hydroxyphenyl)-[[[[2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide
SMILESCC.CC.CC.CC.O=[C-]c1ccccc1/N=N/C(=N[N-]c1ccccc1O)c1ccccc1.[Cu+2]
InChIInChI=1S/C20H14N4O2.4C2H6.Cu/c25-14-16-10-4-5-11-17(16)21-23-20(15-8-2-1-3-9-15)24-22-18-12-6-7-13-19(18)26;4*1-2;/h1-13H,(H-,21,22,23,24,25,26);4*1-2H3;/q-2;;;;;+2
InChIKeyDNFWJGVZTBJZBG-UHFFFAOYSA-N
XLogP9.10
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.18
LogP ≤ 59.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[[[(2-carboxyphenyl)diazenyl]-phenylmethylidene]amino]-(2-hydroxyphenyl)azanide;copper(1+);ethane
CID 169424989
copper (2-hydroxy-3,5-dimethylphenyl)-[(Z)-[[[5-methyl-2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide
CID 59971375
[[[[2-carboxy-4-(trihydroxy-λ4-sulfanyl)phenyl]diazenyl]-phenylmethylidene]amino]-(2-hydroxy-3-methyl-5-sulfophenyl)azanide;copper(1+)
CID 159638679
[(E)-[(4-methylphenyl)-phenyldiazenylmethylidene]amino]-phenylazanide
CID 122233489
copper;ethane;formaldehyde;bis(N-(2-formylphenyl)imino-N'-(2-hydroxyanilino)benzenecarboximidamide);N'-(2-hydroxyanilino)-N-(2-hydroxyphenyl)iminobenzenecarboximidamide
CID 172965773
N'-(2-methyl-3-sulfanylanilino)-N-(2-methyl-3-sulfanylphenyl)iminobenzenecarboximidamide
CID 68501982
CID 162394261
CID 162394261
chlorocobalt(2+);[2-(oxomethyl)phenyl]methanone
CID 4212516
2-(1-phenylethylideneamino)phenol
CID 12750817
4-(2-bromoethyl)-N'-(2-hydroxyanilino)-N-(2-hydroxyphenyl)iminobenzenecarboximidamide
CID 137331203
2-[[methylsulfonyl(phenyl)methylidene]amino]phenol
CID 23333943
diphenylmethanone;ethane
CID 158014879

Frequently Asked Questions

What is the IUPAC name of copper;ethane;(2-hydroxyphenyl)-[[[[2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide?
The IUPAC name of copper;ethane;(2-hydroxyphenyl)-[[[[2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide (CID 161283848) is copper;ethane;(2-hydroxyphenyl)-[[[[2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide.
What is the SMILES notation for copper;ethane;(2-hydroxyphenyl)-[[[[2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide?
The canonical SMILES for copper;ethane;(2-hydroxyphenyl)-[[[[2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide is CC.CC.CC.CC.O=[C-]c1ccccc1/N=N/C(=N[N-]c1ccccc1O)c1ccccc1.[Cu+2].
What is the InChIKey of copper;ethane;(2-hydroxyphenyl)-[[[[2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide?
The InChIKey is DNFWJGVZTBJZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2.4C2H6.Cu/c25-14-16-10-4-5-11-17(16)21-23-20(15-8-2-1-3-9-15)24-22-18-12-6-7-13-19(18)26;4*1-2;/h1-13H,(H-,21,22,23,24,25,26);4*1-2H3;/q-2;;;;;+2.
What are the key properties of copper;ethane;(2-hydroxyphenyl)-[[[[2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide?
copper;ethane;(2-hydroxyphenyl)-[[[[2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide has a molecular weight of 526.18 g/mol, XLogP of 9.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;ethane;(2-hydroxyphenyl)-[[[[2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide is sourced from PubChem (CID 161283848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).