dicopper;bis(1-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]naphthalen-2-olate);dinitrate

C40H32Cu2N8O8 — CID 139159468

IUPACdicopper;bis(1-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]naphthalen-2-olate);dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].[Cu+2].[O-]c1ccc2ccccc2c1/C=N/CCc1nc2ccccc2[nH]1.[O-]c1ccc2ccccc2c1/C=N/CCc1nc2ccccc2[nH]1
InChIInChI=1S/2C20H17N3O.2Cu.2NO3/c2*24-19-10-9-14-5-1-2-6-15(14)16(19)13-21-12-11-20-22-17-7-3-4-8-18(17)23-20;;;2*2-1(3)4/h2*1-10,13,24H,11-12H2,(H,22,23);;;;/q;;2*+2;2*-1/p-2/b2*21-13+;;;;
InChIKeyFSXHJZNKZQCHCO-IYNRVBQRSA-L
MW879.84 g/mol
LogP6.42
Rot. Bonds8

About dicopper;bis(1-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]naphthalen-2-olate);dinitrate

dicopper;bis(1-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]naphthalen-2-olate);dinitrate (PubChem CID 139159468) has the molecular formula C40H32Cu2N8O8 and a molecular weight of 879.84 g/mol. Its IUPAC name is dicopper;bis(1-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]naphthalen-2-olate);dinitrate.

Molecular Properties

Compound Namedicopper;bis(1-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]naphthalen-2-olate);dinitrate
PubChem CID139159468
Molecular FormulaC40H32Cu2N8O8
Molecular Weight879.84 g/mol
Exact Mass878.09
IUPAC Namedicopper;bis(1-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]naphthalen-2-olate);dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].[Cu+2].[O-]c1ccc2ccccc2c1/C=N/CCc1nc2ccccc2[nH]1.[O-]c1ccc2ccccc2c1/C=N/CCc1nc2ccccc2[nH]1
InChIInChI=1S/2C20H17N3O.2Cu.2NO3/c2*24-19-10-9-14-5-1-2-6-15(14)16(19)13-21-12-11-20-22-17-7-3-4-8-18(17)23-20;;;2*2-1(3)4/h2*1-10,13,24H,11-12H2,(H,22,23);;;;/q;;2*+2;2*-1/p-2/b2*21-13+;;;;
InChIKeyFSXHJZNKZQCHCO-IYNRVBQRSA-L
XLogP6.42
TPSA260.60 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500879.84
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze dicopper;bis(1-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]naphthalen-2-olate);dinitrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Cu(BzL)2).4CH3CN
CID 139152325
(Zn(L(BzL)2).2CH3CN
CID 139152326
dizinc;bis(1-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]naphthalen-2-olate);diacetate
CID 139163840
bis(2-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]phenolate);bis(cadmium(2+));diacetate
CID 139165754
Copper;1-[[2-(1-methylbenzimidazol-2-yl)phenyl]iminomethyl]naphthalen-2-olate;nitrate
CID 139167338
Dicopper;bis(1-[[2-(1-propylbenzimidazol-2-yl)phenyl]iminomethyl]naphthalen-2-olate);dinitrate
CID 139167339
Dicopper;bis(1-[2-(1-methylbenzimidazol-2-yl)ethyliminomethyl]naphthalen-2-olate);dinitrate
CID 139198936
Dicopper;bis(2-[[2-(1-methylbenzimidazol-2-yl)phenyl]iminomethyl]phenolate);dinitrate
CID 139199115
11-[2-(1H-benzimidazol-2-yl)phenoxy]-10,12-dioxa-3-aza-11-indatetracyclo[11.8.0.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaene
CID 58886970
2-[4-[5-[6-[4-(1H-benzimidazol-2-yl)phenyl]-2-methoxynaphthalen-1-yl]-6-methoxynaphthalen-2-yl]phenyl]-1H-benzimidazole
CID 163818985
3-(1H-benzimidazol-2-yl)-1-[3-(1H-benzimidazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 136880938

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(1-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]naphthalen-2-olate);dinitrate?
The IUPAC name of dicopper;bis(1-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]naphthalen-2-olate);dinitrate (CID 139159468) is dicopper;bis(1-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]naphthalen-2-olate);dinitrate.
What is the SMILES notation for dicopper;bis(1-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]naphthalen-2-olate);dinitrate?
The canonical SMILES for dicopper;bis(1-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]naphthalen-2-olate);dinitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].[Cu+2].[O-]c1ccc2ccccc2c1/C=N/CCc1nc2ccccc2[nH]1.[O-]c1ccc2ccccc2c1/C=N/CCc1nc2ccccc2[nH]1.
What is the InChIKey of dicopper;bis(1-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]naphthalen-2-olate);dinitrate?
The InChIKey is FSXHJZNKZQCHCO-IYNRVBQRSA-L. The full InChI is InChI=1S/2C20H17N3O.2Cu.2NO3/c2*24-19-10-9-14-5-1-2-6-15(14)16(19)13-21-12-11-20-22-17-7-3-4-8-18(17)23-20;;;2*2-1(3)4/h2*1-10,13,24H,11-12H2,(H,22,23);;;;/q;;2*+2;2*-1/p-2/b2*21-13+;;;;.
What are the key properties of dicopper;bis(1-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]naphthalen-2-olate);dinitrate?
dicopper;bis(1-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]naphthalen-2-olate);dinitrate has a molecular weight of 879.84 g/mol, XLogP of 6.42, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(1-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]naphthalen-2-olate);dinitrate is sourced from PubChem (CID 139159468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).