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

C52H52Cl2Cu2N6O16P2 — CID 139129281

IUPACdicopper;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
SMILESCN(Cc1ccccn1)Cc1cccc(CCc2cccc(CN(C)Cc3ccccn3)n2)n1.O=P([O-])(Oc1ccccc1)Oc1ccccc1.O=P([O-])(Oc1ccccc1)Oc1ccccc1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C28H32N6.2C12H11O4P.2ClHO4.2Cu/c1-33(19-25-9-3-5-17-29-25)21-27-13-7-11-23(31-27)15-16-24-12-8-14-28(32-24)22-34(2)20-26-10-4-6-18-30-26;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)5;;/h3-14,17-18H,15-16,19-22H2,1-2H3;2*1-10H,(H,13,14);2*(H,2,3,4,5);;/q;;;;;2*+2/p-4
InChIKeyGPASGBIVMUHVFC-UHFFFAOYSA-J
MW1276.96 g/mol
LogP0.02
Rot. Bonds19

About 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

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 (PubChem CID 139129281) has the molecular formula C52H52Cl2Cu2N6O16P2 and a molecular weight of 1276.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namedicopper;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
PubChem CID139129281
Molecular FormulaC52H52Cl2Cu2N6O16P2
Molecular Weight1276.96 g/mol
Exact Mass1274.09
IUPAC Namedicopper;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
SMILESCN(Cc1ccccn1)Cc1cccc(CCc2cccc(CN(C)Cc3ccccn3)n2)n1.O=P([O-])(Oc1ccccc1)Oc1ccccc1.O=P([O-])(Oc1ccccc1)Oc1ccccc1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C28H32N6.2C12H11O4P.2ClHO4.2Cu/c1-33(19-25-9-3-5-17-29-25)21-27-13-7-11-23(31-27)15-16-24-12-8-14-28(32-24)22-34(2)20-26-10-4-6-18-30-26;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)5;;/h3-14,17-18H,15-16,19-22H2,1-2H3;2*1-10H,(H,13,14);2*(H,2,3,4,5);;/q;;;;;2*+2/p-4
InChIKeyGPASGBIVMUHVFC-UHFFFAOYSA-J
XLogP0.02
TPSA359.70 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001276.96
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(Cc1ccccn1)Cc1cccc(CCc2cccc(CN(C)Cc3ccccn3)n2)n1.O=P([O-])(Oc1ccccc1)Oc1ccccc1.O=P([O-])(Oc1ccccc1)Oc1ccccc1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 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?
The InChIKey is GPASGBIVMUHVFC-UHFFFAOYSA-J. The full InChI is InChI=1S/C28H32N6.2C12H11O4P.2ClHO4.2Cu/c1-33(19-25-9-3-5-17-29-25)21-27-13-7-11-23(31-27)15-16-24-12-8-14-28(32-24)22-34(2)20-26-10-4-6-18-30-26;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)5;;/h3-14,17-18H,15-16,19-22H2,1-2H3;2*1-10H,(H,13,14);2*(H,2,3,4,5);;/q;;;;;2*+2/p-4.
What are the key properties of 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?
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 has a molecular weight of 1276.96 g/mol, XLogP of 0.02, 19 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139129281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).