tetrakis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);bis(copper(1+));diperchlorate

C48H40Br8Cl2Cu2N8O8 — CID 139127502

IUPACtetrakis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);bis(copper(1+));diperchlorate
SMILESBrCc1cccc(-c2cccc(CBr)n2)n1.BrCc1cccc(-c2cccc(CBr)n2)n1.BrCc1cccc(-c2cccc(CBr)n2)n1.BrCc1cccc(-c2cccc(CBr)n2)n1.[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/4C12H10Br2N2.2ClHO4.2Cu/c4*13-7-9-3-1-5-11(15-9)12-6-2-4-10(8-14)16-12;2*2-1(3,4)5;;/h4*1-6H,7-8H2;2*(H,2,3,4,5);;/q;;;;;;2*+1/p-2
InChIKeyHZCJJIMLKVQPNQ-UHFFFAOYSA-L
MW1694.13 g/mol
LogP6.22
Rot. Bonds12

About tetrakis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);bis(copper(1+));diperchlorate

tetrakis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);bis(copper(1+));diperchlorate (PubChem CID 139127502) has the molecular formula C48H40Br8Cl2Cu2N8O8 and a molecular weight of 1694.13 g/mol. Its IUPAC name is tetrakis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);bis(copper(1+));diperchlorate.

Molecular Properties

Compound Nametetrakis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);bis(copper(1+));diperchlorate
PubChem CID139127502
Molecular FormulaC48H40Br8Cl2Cu2N8O8
Molecular Weight1694.13 g/mol
Exact Mass1683.44
IUPAC Nametetrakis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);bis(copper(1+));diperchlorate
SMILESBrCc1cccc(-c2cccc(CBr)n2)n1.BrCc1cccc(-c2cccc(CBr)n2)n1.BrCc1cccc(-c2cccc(CBr)n2)n1.BrCc1cccc(-c2cccc(CBr)n2)n1.[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/4C12H10Br2N2.2ClHO4.2Cu/c4*13-7-9-3-1-5-11(15-9)12-6-2-4-10(8-14)16-12;2*2-1(3,4)5;;/h4*1-6H,7-8H2;2*(H,2,3,4,5);;/q;;;;;;2*+1/p-2
InChIKeyHZCJJIMLKVQPNQ-UHFFFAOYSA-L
XLogP6.22
TPSA287.60 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001694.13
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

bis(6,6'-dibromo-2,2'-bipyridyl)copper(I) perchlorate
CID 139056347
Bis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);copper(1+);perchlorate
CID 139127501
Bis(6,6'-dimethyl-2,2'-bipyridine)copper(II) perchlorate
CID 139153017
Dicopper;tetrakis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);tetratetrafluoroborate
CID 139203153
Aquobis(6,6'-dimethyl-2,2'-bipyridine)copper(II) perchlorate
CID 168347385
Cobalt;cobalt dihydride;dichlorocobalt;tetrakis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);triiodide
CID 160234959
CID 160712267
CID 160712267

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);bis(copper(1+));diperchlorate?
The IUPAC name of tetrakis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);bis(copper(1+));diperchlorate (CID 139127502) is tetrakis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);bis(copper(1+));diperchlorate.
What is the SMILES notation for tetrakis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);bis(copper(1+));diperchlorate?
The canonical SMILES for tetrakis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);bis(copper(1+));diperchlorate is BrCc1cccc(-c2cccc(CBr)n2)n1.BrCc1cccc(-c2cccc(CBr)n2)n1.BrCc1cccc(-c2cccc(CBr)n2)n1.BrCc1cccc(-c2cccc(CBr)n2)n1.[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of tetrakis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);bis(copper(1+));diperchlorate?
The InChIKey is HZCJJIMLKVQPNQ-UHFFFAOYSA-L. The full InChI is InChI=1S/4C12H10Br2N2.2ClHO4.2Cu/c4*13-7-9-3-1-5-11(15-9)12-6-2-4-10(8-14)16-12;2*2-1(3,4)5;;/h4*1-6H,7-8H2;2*(H,2,3,4,5);;/q;;;;;;2*+1/p-2.
What are the key properties of tetrakis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);bis(copper(1+));diperchlorate?
tetrakis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);bis(copper(1+));diperchlorate has a molecular weight of 1694.13 g/mol, XLogP of 6.22, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);bis(copper(1+));diperchlorate is sourced from PubChem (CID 139127502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).