dizinc;bis(N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]-6-pyridin-2-ylpyridine-2-carboximidamide);tetraperchlorate

C44H36Cl4N16O16Zn2 — CID 139045230

IUPACdizinc;bis(N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]-6-pyridin-2-ylpyridine-2-carboximidamide);tetraperchlorate
SMILESN/C(=N\N=C(/N)c1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.N/C(=N\N=C(/N)c1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].[Zn+2]
InChIInChI=1S/2C22H18N8.4ClHO4.2Zn/c2*23-21(19-11-5-9-17(27-19)15-7-1-3-13-25-15)29-30-22(24)20-12-6-10-18(28-20)16-8-2-4-14-26-16;4*2-1(3,4)5;;/h2*1-14H,(H2,23,29)(H2,24,30);4*(H,2,3,4,5);;/q;;;;;;2*+2/p-4
InChIKeyWCLLGXYOZAKBHX-UHFFFAOYSA-J
MW1317.46 g/mol
LogP-13.78
Rot. Bonds10

About dizinc;bis(N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]-6-pyridin-2-ylpyridine-2-carboximidamide);tetraperchlorate

dizinc;bis(N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]-6-pyridin-2-ylpyridine-2-carboximidamide);tetraperchlorate (PubChem CID 139045230) has the molecular formula C44H36Cl4N16O16Zn2 and a molecular weight of 1317.46 g/mol. Its IUPAC name is dizinc;bis(N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]-6-pyridin-2-ylpyridine-2-carboximidamide);tetraperchlorate.

Molecular Properties

Compound Namedizinc;bis(N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]-6-pyridin-2-ylpyridine-2-carboximidamide);tetraperchlorate
PubChem CID139045230
Molecular FormulaC44H36Cl4N16O16Zn2
Molecular Weight1317.46 g/mol
Exact Mass1311.98
IUPAC Namedizinc;bis(N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]-6-pyridin-2-ylpyridine-2-carboximidamide);tetraperchlorate
SMILESN/C(=N\N=C(/N)c1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.N/C(=N\N=C(/N)c1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].[Zn+2]
InChIInChI=1S/2C22H18N8.4ClHO4.2Zn/c2*23-21(19-11-5-9-17(27-19)15-7-1-3-13-25-15)29-30-22(24)20-12-6-10-18(28-20)16-8-2-4-14-26-16;4*2-1(3,4)5;;/h2*1-14H,(H2,23,29)(H2,24,30);4*(H,2,3,4,5);;/q;;;;;;2*+2/p-4
InChIKeyWCLLGXYOZAKBHX-UHFFFAOYSA-J
XLogP-13.78
TPSA625.60 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001317.46
LogP ≤ 5-13.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

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Related Compounds

Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Tris(2,2'-bipyridine)nickel dichloride
CID 72193962
tris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate
CID 172897992
Tris(2,2'-bipyridyl)ruthenium(II) dichloride
CID 44140593
Ethanimidate;tetrakis(palladium(2+));tetrakis(2-pyridin-2-ylpyridine);tetrakis(trifluoromethanesulfonate)
CID 139151981
Tris(2,2'-bipyridyl-N,N')iron(II) diperchlorate
CID 139057872
Tetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+))
CID 139115232
Tris(2,2'-bipyridine)diperchloratoruthenium
CID 139144531
ron(2+), tris(4,4a(2)-dimethyl-2,2a(2)-bipyridine-I masculineN1,I masculineN1a(2))-, (OC-6-11)-, perchlorate (1:2)
CID 165360862
tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(iridium);2-(5H-tetrazol-5-yl)pyridine;bis(2-[5-(trifluoromethyl)-3H-1,2,4-triazol-3-yl]pyridine)
CID 158853039
Tris(bipyridine)iron(II) chloride
CID 168447302
Blue dimer
CID 138376466

Frequently Asked Questions

What is the IUPAC name of dizinc;bis(N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]-6-pyridin-2-ylpyridine-2-carboximidamide);tetraperchlorate?
The IUPAC name of dizinc;bis(N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]-6-pyridin-2-ylpyridine-2-carboximidamide);tetraperchlorate (CID 139045230) is dizinc;bis(N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]-6-pyridin-2-ylpyridine-2-carboximidamide);tetraperchlorate.
What is the SMILES notation for dizinc;bis(N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]-6-pyridin-2-ylpyridine-2-carboximidamide);tetraperchlorate?
The canonical SMILES for dizinc;bis(N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]-6-pyridin-2-ylpyridine-2-carboximidamide);tetraperchlorate is N/C(=N\N=C(/N)c1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.N/C(=N\N=C(/N)c1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].[Zn+2].
What is the InChIKey of dizinc;bis(N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]-6-pyridin-2-ylpyridine-2-carboximidamide);tetraperchlorate?
The InChIKey is WCLLGXYOZAKBHX-UHFFFAOYSA-J. The full InChI is InChI=1S/2C22H18N8.4ClHO4.2Zn/c2*23-21(19-11-5-9-17(27-19)15-7-1-3-13-25-15)29-30-22(24)20-12-6-10-18(28-20)16-8-2-4-14-26-16;4*2-1(3,4)5;;/h2*1-14H,(H2,23,29)(H2,24,30);4*(H,2,3,4,5);;/q;;;;;;2*+2/p-4.
What are the key properties of dizinc;bis(N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]-6-pyridin-2-ylpyridine-2-carboximidamide);tetraperchlorate?
dizinc;bis(N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]-6-pyridin-2-ylpyridine-2-carboximidamide);tetraperchlorate has a molecular weight of 1317.46 g/mol, XLogP of -13.78, 10 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;bis(N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]-6-pyridin-2-ylpyridine-2-carboximidamide);tetraperchlorate is sourced from PubChem (CID 139045230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).