hexakis(2-bromo-6-(6-bromo-2-pyridinyl)pyridine);tris(copper(1+));triperchlorate

C60H36Br12Cl3Cu3N12O12 — CID 139056347

IUPAChexakis(2-bromo-6-(6-bromo-2-pyridinyl)pyridine);tris(copper(1+));triperchlorate
SMILESBrc1cccc(-c2cccc(Br)n2)n1.Brc1cccc(-c2cccc(Br)n2)n1.Brc1cccc(-c2cccc(Br)n2)n1.Brc1cccc(-c2cccc(Br)n2)n1.Brc1cccc(-c2cccc(Br)n2)n1.Brc1cccc(-c2cccc(Br)n2)n1.[Cu+].[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/6C10H6Br2N2.3ClHO4.3Cu/c6*11-9-5-1-3-7(13-9)8-4-2-6-10(12)14-8;3*2-1(3,4)5;;;/h6*1-6H;3*(H,2,3,4,5);;;/q;;;;;;;;;3*+1/p-3
InChIKeyXCDPVDFNXIIQON-UHFFFAOYSA-K
MW2372.86 g/mol
LogP7.74
Rot. Bonds6

About hexakis(2-bromo-6-(6-bromo-2-pyridinyl)pyridine);tris(copper(1+));triperchlorate

hexakis(2-bromo-6-(6-bromo-2-pyridinyl)pyridine);tris(copper(1+));triperchlorate (PubChem CID 139056347) has the molecular formula C60H36Br12Cl3Cu3N12O12 and a molecular weight of 2372.86 g/mol. Its IUPAC name is hexakis(2-bromo-6-(6-bromo-2-pyridinyl)pyridine);tris(copper(1+));triperchlorate.

Molecular Properties

Compound Namehexakis(2-bromo-6-(6-bromo-2-pyridinyl)pyridine);tris(copper(1+));triperchlorate
PubChem CID139056347
Molecular FormulaC60H36Br12Cl3Cu3N12O12
Molecular Weight2372.86 g/mol
Exact Mass2356.97
IUPAC Namehexakis(2-bromo-6-(6-bromo-2-pyridinyl)pyridine);tris(copper(1+));triperchlorate
SMILESBrc1cccc(-c2cccc(Br)n2)n1.Brc1cccc(-c2cccc(Br)n2)n1.Brc1cccc(-c2cccc(Br)n2)n1.Brc1cccc(-c2cccc(Br)n2)n1.Brc1cccc(-c2cccc(Br)n2)n1.Brc1cccc(-c2cccc(Br)n2)n1.[Cu+].[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/6C10H6Br2N2.3ClHO4.3Cu/c6*11-9-5-1-3-7(13-9)8-4-2-6-10(12)14-8;3*2-1(3,4)5;;;/h6*1-6H;3*(H,2,3,4,5);;;/q;;;;;;;;;3*+1/p-3
InChIKeyXCDPVDFNXIIQON-UHFFFAOYSA-K
XLogP7.74
TPSA431.40 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds6
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002372.86
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Bis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);copper(1+);perchlorate
CID 139127501
Tetrakis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);bis(copper(1+));diperchlorate
CID 139127502
Bis(6,6'-dimethyl-2,2'-bipyridine)copper(II) perchlorate
CID 139153017
Cobalt;cobalt dihydride;dichlorocobalt;tetrakis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);triiodide
CID 160234959
CID 160712267
CID 160712267
Tetrakis(2,6-bis(6-bromo-2-pyridinyl)pyridine);ethoxyethane;bis(iron(2+));tetratetrafluoroborate
CID 139125240

Frequently Asked Questions

What is the IUPAC name of hexakis(2-bromo-6-(6-bromo-2-pyridinyl)pyridine);tris(copper(1+));triperchlorate?
The IUPAC name of hexakis(2-bromo-6-(6-bromo-2-pyridinyl)pyridine);tris(copper(1+));triperchlorate (CID 139056347) is hexakis(2-bromo-6-(6-bromo-2-pyridinyl)pyridine);tris(copper(1+));triperchlorate.
What is the SMILES notation for hexakis(2-bromo-6-(6-bromo-2-pyridinyl)pyridine);tris(copper(1+));triperchlorate?
The canonical SMILES for hexakis(2-bromo-6-(6-bromo-2-pyridinyl)pyridine);tris(copper(1+));triperchlorate is Brc1cccc(-c2cccc(Br)n2)n1.Brc1cccc(-c2cccc(Br)n2)n1.Brc1cccc(-c2cccc(Br)n2)n1.Brc1cccc(-c2cccc(Br)n2)n1.Brc1cccc(-c2cccc(Br)n2)n1.Brc1cccc(-c2cccc(Br)n2)n1.[Cu+].[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of hexakis(2-bromo-6-(6-bromo-2-pyridinyl)pyridine);tris(copper(1+));triperchlorate?
The InChIKey is XCDPVDFNXIIQON-UHFFFAOYSA-K. The full InChI is InChI=1S/6C10H6Br2N2.3ClHO4.3Cu/c6*11-9-5-1-3-7(13-9)8-4-2-6-10(12)14-8;3*2-1(3,4)5;;;/h6*1-6H;3*(H,2,3,4,5);;;/q;;;;;;;;;3*+1/p-3.
What are the key properties of hexakis(2-bromo-6-(6-bromo-2-pyridinyl)pyridine);tris(copper(1+));triperchlorate?
hexakis(2-bromo-6-(6-bromo-2-pyridinyl)pyridine);tris(copper(1+));triperchlorate has a molecular weight of 2372.86 g/mol, XLogP of 7.74, 6 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(2-bromo-6-(6-bromo-2-pyridinyl)pyridine);tris(copper(1+));triperchlorate is sourced from PubChem (CID 139056347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).