bis(copper(1+));ethoxyethane;bis(2-methyl-6-[6-[2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethyl]-2-pyridinyl]pyridine);diperchlorate

C52H54Cl2Cu2N8O9 — CID 139162514

IUPACbis(copper(1+));ethoxyethane;bis(2-methyl-6-[6-[2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethyl]-2-pyridinyl]pyridine);diperchlorate
SMILESCCOCC.Cc1ccc(-c2ccc(CCc3cccc(-c4cccc(C)n4)n3)cn2)nc1.Cc1ccc(-c2ccc(CCc3cccc(-c4cccc(C)n4)n3)cn2)nc1.[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C24H22N4.C4H10O.2ClHO4.2Cu/c2*1-17-9-13-21(25-15-17)22-14-11-19(16-26-22)10-12-20-6-4-8-24(28-20)23-7-3-5-18(2)27-23;1-3-5-4-2;2*2-1(3,4)5;;/h2*3-9,11,13-16H,10,12H2,1-2H3;3-4H2,1-2H3;2*(H,2,3,4,5);;/q;;;;;2*+1/p-2
InChIKeyWZWLPVIJJJJLHQ-UHFFFAOYSA-L
MW1133.05 g/mol
LogP1.53
Rot. Bonds12

About bis(copper(1+));ethoxyethane;bis(2-methyl-6-[6-[2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethyl]-2-pyridinyl]pyridine);diperchlorate

bis(copper(1+));ethoxyethane;bis(2-methyl-6-[6-[2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethyl]-2-pyridinyl]pyridine);diperchlorate (PubChem CID 139162514) has the molecular formula C52H54Cl2Cu2N8O9 and a molecular weight of 1133.05 g/mol. Its IUPAC name is bis(copper(1+));ethoxyethane;bis(2-methyl-6-[6-[2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethyl]-2-pyridinyl]pyridine);diperchlorate.

Molecular Properties

Compound Namebis(copper(1+));ethoxyethane;bis(2-methyl-6-[6-[2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethyl]-2-pyridinyl]pyridine);diperchlorate
PubChem CID139162514
Molecular FormulaC52H54Cl2Cu2N8O9
Molecular Weight1133.05 g/mol
Exact Mass1130.20
IUPAC Namebis(copper(1+));ethoxyethane;bis(2-methyl-6-[6-[2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethyl]-2-pyridinyl]pyridine);diperchlorate
SMILESCCOCC.Cc1ccc(-c2ccc(CCc3cccc(-c4cccc(C)n4)n3)cn2)nc1.Cc1ccc(-c2ccc(CCc3cccc(-c4cccc(C)n4)n3)cn2)nc1.[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C24H22N4.C4H10O.2ClHO4.2Cu/c2*1-17-9-13-21(25-15-17)22-14-11-19(16-26-22)10-12-20-6-4-8-24(28-20)23-7-3-5-18(2)27-23;1-3-5-4-2;2*2-1(3,4)5;;/h2*3-9,11,13-16H,10,12H2,1-2H3;3-4H2,1-2H3;2*(H,2,3,4,5);;/q;;;;;2*+1/p-2
InChIKeyWZWLPVIJJJJLHQ-UHFFFAOYSA-L
XLogP1.53
TPSA296.83 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001133.05
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

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Frequently Asked Questions

What is the IUPAC name of bis(copper(1+));ethoxyethane;bis(2-methyl-6-[6-[2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethyl]-2-pyridinyl]pyridine);diperchlorate?
The IUPAC name of bis(copper(1+));ethoxyethane;bis(2-methyl-6-[6-[2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethyl]-2-pyridinyl]pyridine);diperchlorate (CID 139162514) is bis(copper(1+));ethoxyethane;bis(2-methyl-6-[6-[2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethyl]-2-pyridinyl]pyridine);diperchlorate.
What is the SMILES notation for bis(copper(1+));ethoxyethane;bis(2-methyl-6-[6-[2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethyl]-2-pyridinyl]pyridine);diperchlorate?
The canonical SMILES for bis(copper(1+));ethoxyethane;bis(2-methyl-6-[6-[2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethyl]-2-pyridinyl]pyridine);diperchlorate is CCOCC.Cc1ccc(-c2ccc(CCc3cccc(-c4cccc(C)n4)n3)cn2)nc1.Cc1ccc(-c2ccc(CCc3cccc(-c4cccc(C)n4)n3)cn2)nc1.[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of bis(copper(1+));ethoxyethane;bis(2-methyl-6-[6-[2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethyl]-2-pyridinyl]pyridine);diperchlorate?
The InChIKey is WZWLPVIJJJJLHQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C24H22N4.C4H10O.2ClHO4.2Cu/c2*1-17-9-13-21(25-15-17)22-14-11-19(16-26-22)10-12-20-6-4-8-24(28-20)23-7-3-5-18(2)27-23;1-3-5-4-2;2*2-1(3,4)5;;/h2*3-9,11,13-16H,10,12H2,1-2H3;3-4H2,1-2H3;2*(H,2,3,4,5);;/q;;;;;2*+1/p-2.
What are the key properties of bis(copper(1+));ethoxyethane;bis(2-methyl-6-[6-[2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethyl]-2-pyridinyl]pyridine);diperchlorate?
bis(copper(1+));ethoxyethane;bis(2-methyl-6-[6-[2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethyl]-2-pyridinyl]pyridine);diperchlorate has a molecular weight of 1133.05 g/mol, XLogP of 1.53, 12 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for bis(copper(1+));ethoxyethane;bis(2-methyl-6-[6-[2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]ethyl]-2-pyridinyl]pyridine);diperchlorate is sourced from PubChem (CID 139162514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).