bis(cadmium(2+));bis((NE,1Z)-N-[1-(5-chloro-2-oxidophenyl)ethylidene]-4-nitrobenzenecarbohydrazonate);tetrakis(pyridine)

C50H40Cd2Cl2N10O8 — CID 139067478

IUPACbis(cadmium(2+));bis((NE,1Z)-N-[1-(5-chloro-2-oxidophenyl)ethylidene]-4-nitrobenzenecarbohydrazonate);tetrakis(pyridine)
SMILESC/C(=N\N=C(/[O-])c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1[O-].C/C(=N\N=C(/[O-])c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1[O-].[Cd+2].[Cd+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C15H12ClN3O4.4C5H5N.2Cd/c2*1-9(13-8-11(16)4-7-14(13)20)17-18-15(21)10-2-5-12(6-3-10)19(22)23;4*1-2-4-6-5-3-1;;/h2*2-8,20H,1H3,(H,18,21);4*1-5H;;/q;;;;;;2*+2/p-4/b2*17-9+;;;;;;
InChIKeyCIANUVSLFHUSJK-RBBJKXITSA-J
MW1204.66 g/mol
LogP8.03
Rot. Bonds8

About bis(cadmium(2+));bis((NE,1Z)-N-[1-(5-chloro-2-oxidophenyl)ethylidene]-4-nitrobenzenecarbohydrazonate);tetrakis(pyridine)

bis(cadmium(2+));bis((NE,1Z)-N-[1-(5-chloro-2-oxidophenyl)ethylidene]-4-nitrobenzenecarbohydrazonate);tetrakis(pyridine) (PubChem CID 139067478) has the molecular formula C50H40Cd2Cl2N10O8 and a molecular weight of 1204.66 g/mol. Its IUPAC name is bis(cadmium(2+));bis((NE,1Z)-N-[1-(5-chloro-2-oxidophenyl)ethylidene]-4-nitrobenzenecarbohydrazonate);tetrakis(pyridine).

Molecular Properties

Compound Namebis(cadmium(2+));bis((NE,1Z)-N-[1-(5-chloro-2-oxidophenyl)ethylidene]-4-nitrobenzenecarbohydrazonate);tetrakis(pyridine)
PubChem CID139067478
Molecular FormulaC50H40Cd2Cl2N10O8
Molecular Weight1204.66 g/mol
Exact Mass1206.05
IUPAC Namebis(cadmium(2+));bis((NE,1Z)-N-[1-(5-chloro-2-oxidophenyl)ethylidene]-4-nitrobenzenecarbohydrazonate);tetrakis(pyridine)
SMILESC/C(=N\N=C(/[O-])c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1[O-].C/C(=N\N=C(/[O-])c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1[O-].[Cd+2].[Cd+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C15H12ClN3O4.4C5H5N.2Cd/c2*1-9(13-8-11(16)4-7-14(13)20)17-18-15(21)10-2-5-12(6-3-10)19(22)23;4*1-2-4-6-5-3-1;;/h2*2-8,20H,1H3,(H,18,21);4*1-5H;;/q;;;;;;2*+2/p-4/b2*17-9+;;;;;;
InChIKeyCIANUVSLFHUSJK-RBBJKXITSA-J
XLogP8.03
TPSA279.52 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001204.66
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'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

{4-Chloro-2'-[1-(5-chloro-2-oxidophenyl)ethylidene-kappa^3^O,N^2'^,O']benzhydrazido}tris(pyridine-kappaN)nickel(II) pyridine solvate
CID 139066985

Frequently Asked Questions

What is the IUPAC name of bis(cadmium(2+));bis((NE,1Z)-N-[1-(5-chloro-2-oxidophenyl)ethylidene]-4-nitrobenzenecarbohydrazonate);tetrakis(pyridine)?
The IUPAC name of bis(cadmium(2+));bis((NE,1Z)-N-[1-(5-chloro-2-oxidophenyl)ethylidene]-4-nitrobenzenecarbohydrazonate);tetrakis(pyridine) (CID 139067478) is bis(cadmium(2+));bis((NE,1Z)-N-[1-(5-chloro-2-oxidophenyl)ethylidene]-4-nitrobenzenecarbohydrazonate);tetrakis(pyridine).
What is the SMILES notation for bis(cadmium(2+));bis((NE,1Z)-N-[1-(5-chloro-2-oxidophenyl)ethylidene]-4-nitrobenzenecarbohydrazonate);tetrakis(pyridine)?
The canonical SMILES for bis(cadmium(2+));bis((NE,1Z)-N-[1-(5-chloro-2-oxidophenyl)ethylidene]-4-nitrobenzenecarbohydrazonate);tetrakis(pyridine) is C/C(=N\N=C(/[O-])c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1[O-].C/C(=N\N=C(/[O-])c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1[O-].[Cd+2].[Cd+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of bis(cadmium(2+));bis((NE,1Z)-N-[1-(5-chloro-2-oxidophenyl)ethylidene]-4-nitrobenzenecarbohydrazonate);tetrakis(pyridine)?
The InChIKey is CIANUVSLFHUSJK-RBBJKXITSA-J. The full InChI is InChI=1S/2C15H12ClN3O4.4C5H5N.2Cd/c2*1-9(13-8-11(16)4-7-14(13)20)17-18-15(21)10-2-5-12(6-3-10)19(22)23;4*1-2-4-6-5-3-1;;/h2*2-8,20H,1H3,(H,18,21);4*1-5H;;/q;;;;;;2*+2/p-4/b2*17-9+;;;;;;.
What are the key properties of bis(cadmium(2+));bis((NE,1Z)-N-[1-(5-chloro-2-oxidophenyl)ethylidene]-4-nitrobenzenecarbohydrazonate);tetrakis(pyridine)?
bis(cadmium(2+));bis((NE,1Z)-N-[1-(5-chloro-2-oxidophenyl)ethylidene]-4-nitrobenzenecarbohydrazonate);tetrakis(pyridine) has a molecular weight of 1204.66 g/mol, XLogP of 8.03, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cadmium(2+));bis((NE,1Z)-N-[1-(5-chloro-2-oxidophenyl)ethylidene]-4-nitrobenzenecarbohydrazonate);tetrakis(pyridine) is sourced from PubChem (CID 139067478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).