dicopper;bis((NE,2Z)-3-hydroxy-N-(1-pyridin-2-ylethylidene)naphthalene-2-carbohydrazonate);methanol;dinitrate

C37H32Cu2N8O11 — CID 139041470

IUPACdicopper;bis((NE,2Z)-3-hydroxy-N-(1-pyridin-2-ylethylidene)naphthalene-2-carbohydrazonate);methanol;dinitrate
SMILESC/C(=N\N=C(/[O-])c1cc2ccccc2cc1O)c1ccccn1.C/C(=N\N=C(/[O-])c1cc2ccccc2cc1O)c1ccccn1.CO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].[Cu+2]
InChIInChI=1S/2C18H15N3O2.CH4O.2Cu.2NO3/c2*1-12(16-8-4-5-9-19-16)20-21-18(23)15-10-13-6-2-3-7-14(13)11-17(15)22;1-2;;;2*2-1(3)4/h2*2-11,22H,1H3,(H,21,23);2H,1H3;;;;/q;;;2*+2;2*-1/p-2/b2*20-12+;;;;;
InChIKeyJACAKILLUAIORE-SFKURTKLSA-L
MW891.80 g/mol
LogP4.07
Rot. Bonds6

About dicopper;bis((NE,2Z)-3-hydroxy-N-(1-pyridin-2-ylethylidene)naphthalene-2-carbohydrazonate);methanol;dinitrate

dicopper;bis((NE,2Z)-3-hydroxy-N-(1-pyridin-2-ylethylidene)naphthalene-2-carbohydrazonate);methanol;dinitrate (PubChem CID 139041470) has the molecular formula C37H32Cu2N8O11 and a molecular weight of 891.80 g/mol. Its IUPAC name is dicopper;bis((NE,2Z)-3-hydroxy-N-(1-pyridin-2-ylethylidene)naphthalene-2-carbohydrazonate);methanol;dinitrate.

Molecular Properties

Compound Namedicopper;bis((NE,2Z)-3-hydroxy-N-(1-pyridin-2-ylethylidene)naphthalene-2-carbohydrazonate);methanol;dinitrate
PubChem CID139041470
Molecular FormulaC37H32Cu2N8O11
Molecular Weight891.80 g/mol
Exact Mass890.08
IUPAC Namedicopper;bis((NE,2Z)-3-hydroxy-N-(1-pyridin-2-ylethylidene)naphthalene-2-carbohydrazonate);methanol;dinitrate
SMILESC/C(=N\N=C(/[O-])c1cc2ccccc2cc1O)c1ccccn1.C/C(=N\N=C(/[O-])c1cc2ccccc2cc1O)c1ccccn1.CO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].[Cu+2]
InChIInChI=1S/2C18H15N3O2.CH4O.2Cu.2NO3/c2*1-12(16-8-4-5-9-19-16)20-21-18(23)15-10-13-6-2-3-7-14(13)11-17(15)22;1-2;;;2*2-1(3)4/h2*2-11,22H,1H3,(H,21,23);2H,1H3;;;;/q;;;2*+2;2*-1/p-2/b2*20-12+;;;;;
InChIKeyJACAKILLUAIORE-SFKURTKLSA-L
XLogP4.07
TPSA314.43 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.80
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(S)-3,3'-Di(pyridin-2-yl)-[1,1'-binapthalene]-2,2'-diol
CID 135481002
6-[6-[5-[6-Hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-3-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 136707669
1-(2-Hydroxy-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 137309329
Bis(10-(10-hydroxyphenanthren-9-yl)phenanthren-9-ol);1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;bis(propan-1-ol);dichloride;dihydrate
CID 139039205
Bis(butan-1-ol);bis(10-(10-hydroxyphenanthren-9-yl)phenanthren-9-ol);1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;dichloride;dihydrate
CID 139039206
tricopper;tris((NE,2Z)-3-hydroxy-4-nitro-N-(1-pyridin-2-ylethylidene)naphthalene-2-carbohydrazonate);trinitrate
CID 139041471
bis[oxovadnadium (Z)-2-hydroxy-N-((E)-(2-oxidonaphthalen-1-yl)methylene)benzohydrazonate ethanoate] 4,4'-bipyridine
CID 139049204
[2-Oxido-1-naphthaldehyde (2-hydroxybenzoyl)hydrazonato]pyridinecopper(II)
CID 139069360
Bis[(3-hydroxy-2-naphthyl)(2-pyridylmethylenehydrazono)methanolato]nickel(II)
CID 139073342
[3-Hydroxy-N'-(2-oxidobenzylidene)-2-naphthohydrazidato-kappa^3^O,N,O']tris(pyridine-kappaN)nickel(II) pyridine trisolvate
CID 139074356
Bis[mu-N'-isobutyryl-1-oxidonaphthalene-2-carbohydrazidato(3-)]dipyridinetricopper(II)
CID 139076290
Bis[mu-N'-acetyl-1-oxidonaphthalene-2-carbohydrazidato(3-)]tetrapyridinetricopper(II)
CID 139077598

Frequently Asked Questions

What is the IUPAC name of dicopper;bis((NE,2Z)-3-hydroxy-N-(1-pyridin-2-ylethylidene)naphthalene-2-carbohydrazonate);methanol;dinitrate?
The IUPAC name of dicopper;bis((NE,2Z)-3-hydroxy-N-(1-pyridin-2-ylethylidene)naphthalene-2-carbohydrazonate);methanol;dinitrate (CID 139041470) is dicopper;bis((NE,2Z)-3-hydroxy-N-(1-pyridin-2-ylethylidene)naphthalene-2-carbohydrazonate);methanol;dinitrate.
What is the SMILES notation for dicopper;bis((NE,2Z)-3-hydroxy-N-(1-pyridin-2-ylethylidene)naphthalene-2-carbohydrazonate);methanol;dinitrate?
The canonical SMILES for dicopper;bis((NE,2Z)-3-hydroxy-N-(1-pyridin-2-ylethylidene)naphthalene-2-carbohydrazonate);methanol;dinitrate is C/C(=N\N=C(/[O-])c1cc2ccccc2cc1O)c1ccccn1.C/C(=N\N=C(/[O-])c1cc2ccccc2cc1O)c1ccccn1.CO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].[Cu+2].
What is the InChIKey of dicopper;bis((NE,2Z)-3-hydroxy-N-(1-pyridin-2-ylethylidene)naphthalene-2-carbohydrazonate);methanol;dinitrate?
The InChIKey is JACAKILLUAIORE-SFKURTKLSA-L. The full InChI is InChI=1S/2C18H15N3O2.CH4O.2Cu.2NO3/c2*1-12(16-8-4-5-9-19-16)20-21-18(23)15-10-13-6-2-3-7-14(13)11-17(15)22;1-2;;;2*2-1(3)4/h2*2-11,22H,1H3,(H,21,23);2H,1H3;;;;/q;;;2*+2;2*-1/p-2/b2*20-12+;;;;;.
What are the key properties of dicopper;bis((NE,2Z)-3-hydroxy-N-(1-pyridin-2-ylethylidene)naphthalene-2-carbohydrazonate);methanol;dinitrate?
dicopper;bis((NE,2Z)-3-hydroxy-N-(1-pyridin-2-ylethylidene)naphthalene-2-carbohydrazonate);methanol;dinitrate has a molecular weight of 891.80 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis((NE,2Z)-3-hydroxy-N-(1-pyridin-2-ylethylidene)naphthalene-2-carbohydrazonate);methanol;dinitrate is sourced from PubChem (CID 139041470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).