dicopper;tetrakis(1,10-phenanthroline);terephthalate;diperchlorate

C56H36Cl2Cu2N8O12 — CID 139057769

IUPACdicopper;tetrakis(1,10-phenanthroline);terephthalate;diperchlorate
SMILESO=C([O-])c1ccc(C(=O)[O-])cc1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/4C12H8N2.C8H6O4.2ClHO4.2Cu/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;9-7(10)5-1-2-6(4-3-5)8(11)12;2*2-1(3,4)5;;/h4*1-8H;1-4H,(H,9,10)(H,11,12);2*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4
InChIKeyLNPGJRNZDYDMIZ-UHFFFAOYSA-J
MW1210.95 g/mol
LogP0.03
Rot. Bonds2

About dicopper;tetrakis(1,10-phenanthroline);terephthalate;diperchlorate

dicopper;tetrakis(1,10-phenanthroline);terephthalate;diperchlorate (PubChem CID 139057769) has the molecular formula C56H36Cl2Cu2N8O12 and a molecular weight of 1210.95 g/mol. Its IUPAC name is dicopper;tetrakis(1,10-phenanthroline);terephthalate;diperchlorate.

Molecular Properties

Compound Namedicopper;tetrakis(1,10-phenanthroline);terephthalate;diperchlorate
PubChem CID139057769
Molecular FormulaC56H36Cl2Cu2N8O12
Molecular Weight1210.95 g/mol
Exact Mass1208.04
IUPAC Namedicopper;tetrakis(1,10-phenanthroline);terephthalate;diperchlorate
SMILESO=C([O-])c1ccc(C(=O)[O-])cc1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/4C12H8N2.C8H6O4.2ClHO4.2Cu/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;9-7(10)5-1-2-6(4-3-5)8(11)12;2*2-1(3,4)5;;/h4*1-8H;1-4H,(H,9,10)(H,11,12);2*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4
InChIKeyLNPGJRNZDYDMIZ-UHFFFAOYSA-J
XLogP0.03
TPSA367.86 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds2
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001210.95
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dipyridin-2-ylpyridine;1,10-phenanthroline-2-carboxylate;ruthenium(2+);trifluoromethanesulfonate;hydrate
CID 139148517
Carbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone)
CID 161234990
Vanadium phenanthrolinate
CID 129794847
Iron(II) tris-(1,10-phenanthrolinate) perchlorate
CID 129849860
Dicopper;bis(dipyridin-2-ylmethanone);bis(methoxy(dipyridin-2-yl)methanolate);bis(1,10-phenanthroline);diperchlorate
CID 139036925
tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline;ytterbium(3+)
CID 139039575
Bis(1,1-dioxo-1,2-benzothiazol-3-olate);1,1-dioxo-1,2-benzothiazol-3-one;iron(2+);tris(1,10-phenanthroline);hexahydrate
CID 139058078
pyridine(tetramethyl 4,4',4'',4'''-porphyrin-5,10,15,20-tetrabenzoato)zinc(II)
CID 139059752
Tetrakis(mu-anthracene-9-carboxylato)-kappa^4^O:O';kappa^3^O,O':O';kappa^3^O:O,O'-bis[(anthracene-9-carboxylato-kappa^2^O,O')(1,10-phenanthroline-kappa^2^N,N')erbium(III)]
CID 139060480
bis[mu~3~-cis-N-(2-aminopropyl)-N'-(2-carboxylatophenyl)oxamidato(3-)]-1:2:4kappa^7^N,N',N'', O:O',O":O''';2:4:3kappa^7^O''':O', O":N,N',N'',O-bis(2,2'-bipyridine)-2kappa^2^N,N';4kappa^2^N,N'-dichlorido-1kappaCl,3kappaCl-tetracopper(II) dihydrate
CID 139060615
Tris(1,10-phenanthroline-kappa^2^N,N')iron(II) bis(2,4,5-tricarboxybenzoate) monohydrate
CID 139061391
Tetra-mu-benzoato-O:O'-bis[(benzoato-O,O')(1,10-phenanthroline-N,N')-lanthanum(III)]
CID 139064772

Frequently Asked Questions

What is the IUPAC name of dicopper;tetrakis(1,10-phenanthroline);terephthalate;diperchlorate?
The IUPAC name of dicopper;tetrakis(1,10-phenanthroline);terephthalate;diperchlorate (CID 139057769) is dicopper;tetrakis(1,10-phenanthroline);terephthalate;diperchlorate.
What is the SMILES notation for dicopper;tetrakis(1,10-phenanthroline);terephthalate;diperchlorate?
The canonical SMILES for dicopper;tetrakis(1,10-phenanthroline);terephthalate;diperchlorate is O=C([O-])c1ccc(C(=O)[O-])cc1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of dicopper;tetrakis(1,10-phenanthroline);terephthalate;diperchlorate?
The InChIKey is LNPGJRNZDYDMIZ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C12H8N2.C8H6O4.2ClHO4.2Cu/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;9-7(10)5-1-2-6(4-3-5)8(11)12;2*2-1(3,4)5;;/h4*1-8H;1-4H,(H,9,10)(H,11,12);2*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4.
What are the key properties of dicopper;tetrakis(1,10-phenanthroline);terephthalate;diperchlorate?
dicopper;tetrakis(1,10-phenanthroline);terephthalate;diperchlorate has a molecular weight of 1210.95 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;tetrakis(1,10-phenanthroline);terephthalate;diperchlorate is sourced from PubChem (CID 139057769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).