dicopper;bis(diphenyl phosphate);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);dinitrate

C48H44Cu2N6O14P2 — CID 139141867

IUPACdicopper;bis(diphenyl phosphate);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);dinitrate
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=P([O-])(Oc1ccccc1)Oc1ccccc1.O=P([O-])(Oc1ccccc1)Oc1ccccc1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].[Cu+2]
InChIInChI=1S/2C12H12N2.2C12H11O4P.2Cu.2NO3/c2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;;;2*2-1(3)4/h2*3-8H,1-2H3;2*1-10H,(H,13,14);;;;/q;;;;2*+2;2*-1/p-2
InChIKeyWTVVFQRXODKRFD-UHFFFAOYSA-L
MW1117.95 g/mol
LogP10.26
Rot. Bonds10

About dicopper;bis(diphenyl phosphate);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);dinitrate

dicopper;bis(diphenyl phosphate);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);dinitrate (PubChem CID 139141867) has the molecular formula C48H44Cu2N6O14P2 and a molecular weight of 1117.95 g/mol. Its IUPAC name is dicopper;bis(diphenyl phosphate);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);dinitrate.

Molecular Properties

Compound Namedicopper;bis(diphenyl phosphate);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);dinitrate
PubChem CID139141867
Molecular FormulaC48H44Cu2N6O14P2
Molecular Weight1117.95 g/mol
Exact Mass1116.10
IUPAC Namedicopper;bis(diphenyl phosphate);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);dinitrate
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=P([O-])(Oc1ccccc1)Oc1ccccc1.O=P([O-])(Oc1ccccc1)Oc1ccccc1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].[Cu+2]
InChIInChI=1S/2C12H12N2.2C12H11O4P.2Cu.2NO3/c2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;;;2*2-1(3)4/h2*3-8H,1-2H3;2*1-10H,(H,13,14);;;;/q;;;;2*+2;2*-1/p-2
InChIKeyWTVVFQRXODKRFD-UHFFFAOYSA-L
XLogP10.26
TPSA301.14 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001117.95
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Bis[mu-bis(4-nitrophenyl) phosphate-kappa^2^O:O]bis[(4,4'-dimethyl-2,2'-bipyridine)nitratocopper(II)]
CID 139065478
Tricopper;bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;tris(2-pyridin-2-ylpyridine);diperchlorate
CID 139126290
dicopper;bis(diphenyl phosphate);N-methyl-N-[[6-[2-[6-[[methyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]ethyl]-2-pyridinyl]methyl]-1-pyridin-2-ylmethanamine;diperchlorate
CID 139129281
Bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(2-pyridin-2-ylpyridine)
CID 139165760
dicopper;2-[[(1R)-1-pyridin-2-ylethyl]iminomethyl]phenolate;2-[[(1S)-1-pyridin-2-ylethyl]iminomethyl]phenolate;dinitrate
CID 139176791
Dicopper;bis(acetonitrile);diphenyl phosphate;bis(6-(pyridin-2-ylmethyl)-5,7-dihydrobenzo[d][2]benzazepine);hydroxide;diperchlorate;hydrate
CID 139181145
dizinc;2-[[(S)-phenyl(pyridin-2-yl)methyl]iminomethyl]phenolate;2-[[(R)-phenyl(pyridin-2-yl)methyl]iminomethyl]phenolate;dinitrate
CID 168340844
Dicopper;tetrakis(3-methylpyridine);bis(2-[(2-oxidophenyl)iminomethyl]phenolate)
CID 168342355
Dicopper;dioxidanium;tetrakis((2,6-dimethylphenoxy)-(2-hydroxypropan-2-yl)phosphinate);bis(2-pyridin-2-ylpyridine);dihydrate
CID 168354261
Dioxidanium;dizinc;tetrakis((2,6-dimethylphenoxy)-(2-hydroxypropan-2-yl)phosphinate);bis(2-pyridin-2-ylpyridine);dihydrate
CID 168354262
[(1Z,3Z)-1,2-bis(ethenyl)-4-[indol-1-yl(phenoxy)phosphanyl]oxy-3-methylpenta-1,3-dienoxy]-indol-1-yl-phenoxyphosphane;prop-1-ene
CID 143042162
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpyridin-1-ium;4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;2-pyridin-2-ylpyridine;ruthenium
CID 156734942

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(diphenyl phosphate);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);dinitrate?
The IUPAC name of dicopper;bis(diphenyl phosphate);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);dinitrate (CID 139141867) is dicopper;bis(diphenyl phosphate);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);dinitrate.
What is the SMILES notation for dicopper;bis(diphenyl phosphate);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);dinitrate?
The canonical SMILES for dicopper;bis(diphenyl phosphate);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);dinitrate is Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=P([O-])(Oc1ccccc1)Oc1ccccc1.O=P([O-])(Oc1ccccc1)Oc1ccccc1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].[Cu+2].
What is the InChIKey of dicopper;bis(diphenyl phosphate);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);dinitrate?
The InChIKey is WTVVFQRXODKRFD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H12N2.2C12H11O4P.2Cu.2NO3/c2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;;;2*2-1(3)4/h2*3-8H,1-2H3;2*1-10H,(H,13,14);;;;/q;;;;2*+2;2*-1/p-2.
What are the key properties of dicopper;bis(diphenyl phosphate);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);dinitrate?
dicopper;bis(diphenyl phosphate);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);dinitrate has a molecular weight of 1117.95 g/mol, XLogP of 10.26, 10 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(diphenyl phosphate);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);dinitrate is sourced from PubChem (CID 139141867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).