dicopper;bis(dipyridin-2-ylmethanone);bis(methoxy(dipyridin-2-yl)methanolate);bis(1,10-phenanthroline);diperchlorate

C70H54Cl2Cu2N12O14 — CID 139036925

IUPACdicopper;bis(dipyridin-2-ylmethanone);bis(methoxy(dipyridin-2-yl)methanolate);bis(1,10-phenanthroline);diperchlorate
SMILESCOC([O-])(c1ccccn1)c1ccccn1.COC([O-])(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H11N2O2.2C12H8N2.2C11H8N2O.2ClHO4.2Cu/c2*1-16-12(15,10-6-2-4-8-13-10)11-7-3-5-9-14-11;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10;2*2-1(3,4)5;;/h2*2-9H,1H3;4*1-8H;2*(H,2,3,4,5);;/q2*-1;;;;;;;2*+2/p-2
InChIKeySWFORXCQNAUMGG-UHFFFAOYSA-L
MW1485.27 g/mol
LogP0.83
Rot. Bonds10

About dicopper;bis(dipyridin-2-ylmethanone);bis(methoxy(dipyridin-2-yl)methanolate);bis(1,10-phenanthroline);diperchlorate

dicopper;bis(dipyridin-2-ylmethanone);bis(methoxy(dipyridin-2-yl)methanolate);bis(1,10-phenanthroline);diperchlorate (PubChem CID 139036925) has the molecular formula C70H54Cl2Cu2N12O14 and a molecular weight of 1485.27 g/mol. Its IUPAC name is dicopper;bis(dipyridin-2-ylmethanone);bis(methoxy(dipyridin-2-yl)methanolate);bis(1,10-phenanthroline);diperchlorate.

Molecular Properties

Compound Namedicopper;bis(dipyridin-2-ylmethanone);bis(methoxy(dipyridin-2-yl)methanolate);bis(1,10-phenanthroline);diperchlorate
PubChem CID139036925
Molecular FormulaC70H54Cl2Cu2N12O14
Molecular Weight1485.27 g/mol
Exact Mass1482.19
IUPAC Namedicopper;bis(dipyridin-2-ylmethanone);bis(methoxy(dipyridin-2-yl)methanolate);bis(1,10-phenanthroline);diperchlorate
SMILESCOC([O-])(c1ccccn1)c1ccccn1.COC([O-])(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H11N2O2.2C12H8N2.2C11H8N2O.2ClHO4.2Cu/c2*1-16-12(15,10-6-2-4-8-13-10)11-7-3-5-9-14-11;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10;2*2-1(3,4)5;;/h2*2-9H,1H3;4*1-8H;2*(H,2,3,4,5);;/q2*-1;;;;;;;2*+2/p-2
InChIKeySWFORXCQNAUMGG-UHFFFAOYSA-L
XLogP0.83
TPSA437.88 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds10
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001485.27
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Ethyl 9-[5-(3-ethoxycarbonyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)pentyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate
CID 71539200
Ethyl 9-[6-(3-ethoxycarbonyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate
CID 71539242
2,6-Bis[2-(1,10-phenanthrolin-2-yl)-1,3,4-oxadiazol-5-yl]pyridine
CID 57865067
Bis[copper(I)-di-1,10-phenanthroline)]terephthalate bisperchlorate
CID 139057769
(Nitrato-kappaO)(1,10-phenanthroline-kappa^2^N,N')(picolinato N-oxide-kappa^2^O,O')copper(II)
CID 139067535
Di-mu-hydroxo-bis[aqua(1,10-phenanthroline-kappa^2^N,N')copper(II)] terephthalate octahydrate
CID 139067860
Bis(cobalt(2+));tetrakis(4-methylbenzoate);bis(1,10-phenanthroline);hydrate
CID 139070268
mu-Aqua-bis(mu-4-methylbenzoato-kappa^2^O:O')bis[(4-methylbenzoato-kappaO)(1,10-phenanthroline-kappa^2^N,N')iron(II)]
CID 139074740
mu-aqua-kappa^2^O:O-di-mu-4-methylbenzoatokappa^4^O:O'-bis[(4-methylbenzoato-kappaO)(1,10-phenanthroline-kappa^2^N,N')nickel(II)]
CID 139074951
Cobalt(2+);bis(pyridine-2-carboxylate);quinoxalino[2,3-f][1,10]phenanthroline
CID 139155958
Cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis(pyridine-2-carboxylate)
CID 139155959
Chloroform;cobalt(2+);1,10-phenanthroline;bis(pyridine-2-carboxylate)
CID 139161483

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(dipyridin-2-ylmethanone);bis(methoxy(dipyridin-2-yl)methanolate);bis(1,10-phenanthroline);diperchlorate?
The IUPAC name of dicopper;bis(dipyridin-2-ylmethanone);bis(methoxy(dipyridin-2-yl)methanolate);bis(1,10-phenanthroline);diperchlorate (CID 139036925) is dicopper;bis(dipyridin-2-ylmethanone);bis(methoxy(dipyridin-2-yl)methanolate);bis(1,10-phenanthroline);diperchlorate.
What is the SMILES notation for dicopper;bis(dipyridin-2-ylmethanone);bis(methoxy(dipyridin-2-yl)methanolate);bis(1,10-phenanthroline);diperchlorate?
The canonical SMILES for dicopper;bis(dipyridin-2-ylmethanone);bis(methoxy(dipyridin-2-yl)methanolate);bis(1,10-phenanthroline);diperchlorate is COC([O-])(c1ccccn1)c1ccccn1.COC([O-])(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of dicopper;bis(dipyridin-2-ylmethanone);bis(methoxy(dipyridin-2-yl)methanolate);bis(1,10-phenanthroline);diperchlorate?
The InChIKey is SWFORXCQNAUMGG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H11N2O2.2C12H8N2.2C11H8N2O.2ClHO4.2Cu/c2*1-16-12(15,10-6-2-4-8-13-10)11-7-3-5-9-14-11;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10;2*2-1(3,4)5;;/h2*2-9H,1H3;4*1-8H;2*(H,2,3,4,5);;/q2*-1;;;;;;;2*+2/p-2.
What are the key properties of dicopper;bis(dipyridin-2-ylmethanone);bis(methoxy(dipyridin-2-yl)methanolate);bis(1,10-phenanthroline);diperchlorate?
dicopper;bis(dipyridin-2-ylmethanone);bis(methoxy(dipyridin-2-yl)methanolate);bis(1,10-phenanthroline);diperchlorate has a molecular weight of 1485.27 g/mol, XLogP of 0.83, 10 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(dipyridin-2-ylmethanone);bis(methoxy(dipyridin-2-yl)methanolate);bis(1,10-phenanthroline);diperchlorate is sourced from PubChem (CID 139036925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).