dizinc;bis(4-oxo-2-phenylchromen-3-olate);bis(2-pyridin-2-ylpyridine);diperchlorate

C50H34Cl2N4O14Zn2 — CID 139062535

IUPACdizinc;bis(4-oxo-2-phenylchromen-3-olate);bis(2-pyridin-2-ylpyridine);diperchlorate
SMILESO=c1c([O-])c(-c2ccccc2)oc2ccccc12.O=c1c([O-])c(-c2ccccc2)oc2ccccc12.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].[Zn+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C15H10O3.2C10H8N2.2ClHO4.2Zn/c2*16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;;/h2*1-9,17H;2*1-8H;2*(H,2,3,4,5);;/q;;;;;;2*+2/p-4
InChIKeyUODJFBDFQLQVGI-UHFFFAOYSA-J
MW1116.52 g/mol
LogP-0.16
Rot. Bonds4

About dizinc;bis(4-oxo-2-phenylchromen-3-olate);bis(2-pyridin-2-ylpyridine);diperchlorate

dizinc;bis(4-oxo-2-phenylchromen-3-olate);bis(2-pyridin-2-ylpyridine);diperchlorate (PubChem CID 139062535) has the molecular formula C50H34Cl2N4O14Zn2 and a molecular weight of 1116.52 g/mol. Its IUPAC name is dizinc;bis(4-oxo-2-phenylchromen-3-olate);bis(2-pyridin-2-ylpyridine);diperchlorate.

Molecular Properties

Compound Namedizinc;bis(4-oxo-2-phenylchromen-3-olate);bis(2-pyridin-2-ylpyridine);diperchlorate
PubChem CID139062535
Molecular FormulaC50H34Cl2N4O14Zn2
Molecular Weight1116.52 g/mol
Exact Mass1112.00
IUPAC Namedizinc;bis(4-oxo-2-phenylchromen-3-olate);bis(2-pyridin-2-ylpyridine);diperchlorate
SMILESO=c1c([O-])c(-c2ccccc2)oc2ccccc12.O=c1c([O-])c(-c2ccccc2)oc2ccccc12.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].[Zn+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C15H10O3.2C10H8N2.2ClHO4.2Zn/c2*16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;;/h2*1-9,17H;2*1-8H;2*(H,2,3,4,5);;/q;;;;;;2*+2/p-4
InChIKeyUODJFBDFQLQVGI-UHFFFAOYSA-J
XLogP-0.16
TPSA342.58 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001116.52
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

cadmium(2+);4-oxo-2-phenylchromen-3-olate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate
CID 139036960
acetonitrile;2-benzoyloxybenzoate;cadmium(2+);1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate
CID 139036963
Nickel(2+);bis(4-oxo-2-phenylchromen-3-olate);bis(pyridine)
CID 139054424
(2,2'-bipyridine)flavonolatocopper(II) perchlorate
CID 139055784
Bis[(mu-O,O'-salicylato)(1,10-phenanthroline)copper(II)], acetylsalicylic acid solvate, diaqua solvate
CID 139056948
Copper;bis(4-oxo-2-phenylchromen-3-olate);bis(pyridine)
CID 139066053
copper;ethoxyethane;2-phenylchromenylium-3,4-diolate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate
CID 139131543
Bis(manganese(2+));bis(2-methoxybenzoate);tetrakis(2-pyridin-2-ylpyridine);diperchlorate
CID 139169987
Manganese(2+);bis(4-oxo-2-phenylchromen-3-olate);bis(pyridine)
CID 139180178
manganese(3+);4-oxo-2-phenylchromen-3-olate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate
CID 168337215
2-[[Bis(pyridin-2-ylmethyl)amino]methyl]benzoate;nickel(3+);4-oxo-2-phenylchromen-3-olate
CID 168337978
Benzene;2-[2-(2-oxidophenyl)-2-oxoacetyl]phenolate;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));diperchlorate
CID 168343727

Frequently Asked Questions

What is the IUPAC name of dizinc;bis(4-oxo-2-phenylchromen-3-olate);bis(2-pyridin-2-ylpyridine);diperchlorate?
The IUPAC name of dizinc;bis(4-oxo-2-phenylchromen-3-olate);bis(2-pyridin-2-ylpyridine);diperchlorate (CID 139062535) is dizinc;bis(4-oxo-2-phenylchromen-3-olate);bis(2-pyridin-2-ylpyridine);diperchlorate.
What is the SMILES notation for dizinc;bis(4-oxo-2-phenylchromen-3-olate);bis(2-pyridin-2-ylpyridine);diperchlorate?
The canonical SMILES for dizinc;bis(4-oxo-2-phenylchromen-3-olate);bis(2-pyridin-2-ylpyridine);diperchlorate is O=c1c([O-])c(-c2ccccc2)oc2ccccc12.O=c1c([O-])c(-c2ccccc2)oc2ccccc12.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].[Zn+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of dizinc;bis(4-oxo-2-phenylchromen-3-olate);bis(2-pyridin-2-ylpyridine);diperchlorate?
The InChIKey is UODJFBDFQLQVGI-UHFFFAOYSA-J. The full InChI is InChI=1S/2C15H10O3.2C10H8N2.2ClHO4.2Zn/c2*16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;;/h2*1-9,17H;2*1-8H;2*(H,2,3,4,5);;/q;;;;;;2*+2/p-4.
What are the key properties of dizinc;bis(4-oxo-2-phenylchromen-3-olate);bis(2-pyridin-2-ylpyridine);diperchlorate?
dizinc;bis(4-oxo-2-phenylchromen-3-olate);bis(2-pyridin-2-ylpyridine);diperchlorate has a molecular weight of 1116.52 g/mol, XLogP of -0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;bis(4-oxo-2-phenylchromen-3-olate);bis(2-pyridin-2-ylpyridine);diperchlorate is sourced from PubChem (CID 139062535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).