zinc;ethanol;tris(1,10-phenanthroline);diperchlorate;hydrate

C38H32Cl2N6O10Zn — CID 139067122

IUPACzinc;ethanol;tris(1,10-phenanthroline);diperchlorate;hydrate
SMILESCCO.O.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/3C12H8N2.C2H6O.2ClHO4.H2O.Zn/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-3;2*2-1(3,4)5;;/h3*1-8H;3H,2H2,1H3;2*(H,2,3,4,5);1H2;/q;;;;;;;+2/p-2
InChIKeyPGQLUEBFDBJGGR-UHFFFAOYSA-L
MW869.00 g/mol
LogP-1.99
Rot. Bonds

About zinc;ethanol;tris(1,10-phenanthroline);diperchlorate;hydrate

zinc;ethanol;tris(1,10-phenanthroline);diperchlorate;hydrate (PubChem CID 139067122) has the molecular formula C38H32Cl2N6O10Zn and a molecular weight of 869.00 g/mol. Its IUPAC name is zinc;ethanol;tris(1,10-phenanthroline);diperchlorate;hydrate.

Molecular Properties

Compound Namezinc;ethanol;tris(1,10-phenanthroline);diperchlorate;hydrate
PubChem CID139067122
Molecular FormulaC38H32Cl2N6O10Zn
Molecular Weight869.00 g/mol
Exact Mass866.08
IUPAC Namezinc;ethanol;tris(1,10-phenanthroline);diperchlorate;hydrate
SMILESCCO.O.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/3C12H8N2.C2H6O.2ClHO4.H2O.Zn/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-3;2*2-1(3,4)5;;/h3*1-8H;3H,2H2,1H3;2*(H,2,3,4,5);1H2;/q;;;;;;;+2/p-2
InChIKeyPGQLUEBFDBJGGR-UHFFFAOYSA-L
XLogP-1.99
TPSA313.55 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.00
LogP ≤ 5-1.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1,10-Phenanthroline ferrous perchlorate
CID 84537
Tris(bipyridine)ruthenium(II) chloride hexahydrate
CID 170850
Tris(1,10-phenanthroline); dichlororuthenium
CID 6096197
Delta-[ru(Bpy)2dppz]2+
CID 57336495
Bis(1,10-phenanthroline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium
CID 57339425
Dichlororuthenium--1,10-phenanthroline--water (1/3/1)
CID 71311432
(Tris(1,10-phenanthroline)cobalt(II)) chloride
CID 167251
tris(1,10-phenanthroline)cobalt(III) trichloride pentahydrate
CID 146012815
2,6-Dipyridin-2-ylpyridine;1,10-phenanthroline;ruthenium(2+)
CID 5289316
Bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
CID 57261388
Bis(1,10-phenanthroline)platinum(II)
CID 162394466
Tris(1,10-phenanthroline)ruthenium(2+)
CID 9548754

Frequently Asked Questions

What is the IUPAC name of zinc;ethanol;tris(1,10-phenanthroline);diperchlorate;hydrate?
The IUPAC name of zinc;ethanol;tris(1,10-phenanthroline);diperchlorate;hydrate (CID 139067122) is zinc;ethanol;tris(1,10-phenanthroline);diperchlorate;hydrate.
What is the SMILES notation for zinc;ethanol;tris(1,10-phenanthroline);diperchlorate;hydrate?
The canonical SMILES for zinc;ethanol;tris(1,10-phenanthroline);diperchlorate;hydrate is CCO.O.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of zinc;ethanol;tris(1,10-phenanthroline);diperchlorate;hydrate?
The InChIKey is PGQLUEBFDBJGGR-UHFFFAOYSA-L. The full InChI is InChI=1S/3C12H8N2.C2H6O.2ClHO4.H2O.Zn/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-3;2*2-1(3,4)5;;/h3*1-8H;3H,2H2,1H3;2*(H,2,3,4,5);1H2;/q;;;;;;;+2/p-2.
What are the key properties of zinc;ethanol;tris(1,10-phenanthroline);diperchlorate;hydrate?
zinc;ethanol;tris(1,10-phenanthroline);diperchlorate;hydrate has a molecular weight of 869.00 g/mol, XLogP of -1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;ethanol;tris(1,10-phenanthroline);diperchlorate;hydrate is sourced from PubChem (CID 139067122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).