copper;(NE,Z)-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline

C26H18CuN4O2 — CID 139177738

IUPACcopper;(NE,Z)-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline
SMILES[Cu+2].[O-]/C(=N\N=C\c1ccccc1[O-])c1ccccc1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C14H12N2O2.C12H8N2.Cu/c17-13-9-5-4-8-12(13)10-15-16-14(18)11-6-2-1-3-7-11;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-10,17H,(H,16,18);1-8H;/q;;+2/p-2/b15-10+;;
InChIKeyAXCJHIOLGJQTSN-OVWKBUNZSA-L
MW482.00 g/mol
LogP3.68
Rot. Bonds3

About copper;(NE,Z)-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline

copper;(NE,Z)-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline (PubChem CID 139177738) has the molecular formula C26H18CuN4O2 and a molecular weight of 482.00 g/mol. Its IUPAC name is copper;(NE,Z)-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline.

Molecular Properties

Compound Namecopper;(NE,Z)-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline
PubChem CID139177738
Molecular FormulaC26H18CuN4O2
Molecular Weight482.00 g/mol
Exact Mass481.07
IUPAC Namecopper;(NE,Z)-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline
SMILES[Cu+2].[O-]/C(=N\N=C\c1ccccc1[O-])c1ccccc1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C14H12N2O2.C12H8N2.Cu/c17-13-9-5-4-8-12(13)10-15-16-14(18)11-6-2-1-3-7-11;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-10,17H,(H,16,18);1-8H;/q;;+2/p-2/b15-10+;;
InChIKeyAXCJHIOLGJQTSN-OVWKBUNZSA-L
XLogP3.68
TPSA96.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.00
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Bathophenanthroline disulfonic acid
CID 65368
1,10-Phenanthroline, 4,7-diphenoxy-
CID 23423818
Acetonitrile;bis(4-iodo-2-(quinolin-8-yliminomethyl)phenolate);iron(3+);trifluoromethanesulfonate
CID 139049830
Bis(4-iodo-2-(quinolin-8-yliminomethyl)phenolate);iron(3+);propan-2-one;trifluoromethanesulfonate
CID 139049831
Bis(trifluoromethylsulfonyl)azanide;bis(4-iodo-2-(quinolin-8-yliminomethyl)phenolate);iron(3+)
CID 139187974
4,7-Bis(4-methoxyphenyl)-1,10-phenanthroline
CID 57356965
2-(p-Anisyl)-1,10-phenanthroline
CID 101566236
Iridium;quinolin-8-ol;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline
CID 58672275
dysprosium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
CID 59381361
3,8-Bis(4-methoxyphenyl)-1,10-phenanthroline
CID 15851446
4-[(4-Methoxyphenyl)methyl]-7-methyl-1,10-phenanthroline
CID 91137148
4-[(4-Methoxyphenyl)methyl]-1,10-phenanthroline
CID 91603253

Frequently Asked Questions

What is the IUPAC name of copper;(NE,Z)-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline?
The IUPAC name of copper;(NE,Z)-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline (CID 139177738) is copper;(NE,Z)-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline.
What is the SMILES notation for copper;(NE,Z)-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline?
The canonical SMILES for copper;(NE,Z)-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline is [Cu+2].[O-]/C(=N\N=C\c1ccccc1[O-])c1ccccc1.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of copper;(NE,Z)-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline?
The InChIKey is AXCJHIOLGJQTSN-OVWKBUNZSA-L. The full InChI is InChI=1S/C14H12N2O2.C12H8N2.Cu/c17-13-9-5-4-8-12(13)10-15-16-14(18)11-6-2-1-3-7-11;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-10,17H,(H,16,18);1-8H;/q;;+2/p-2/b15-10+;;.
What are the key properties of copper;(NE,Z)-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline?
copper;(NE,Z)-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline has a molecular weight of 482.00 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(NE,Z)-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline is sourced from PubChem (CID 139177738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).