bis(1-[[3-[bis(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);bis(cobalt(2+));chloride;triperchlorate

C56H68Cl4Co2N16O12 — CID 139144241

IUPACbis(1-[[3-[bis(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);bis(cobalt(2+));chloride;triperchlorate
SMILESCc1cc(C)n(C(c2cccc(C(n3nc(C)cc3C)n3nc(C)cc3C)c2)n2nc(C)cc2C)n1.Cc1cc(C)n(C(c2cccc(C(n3nc(C)cc3C)n3nc(C)cc3C)c2)n2nc(C)cc2C)n1.[Cl-].[Co+2].[Co+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C28H34N8.3ClHO4.ClH.2Co/c2*1-17-12-21(5)33(29-17)27(34-22(6)13-18(2)30-34)25-10-9-11-26(16-25)28(35-23(7)14-19(3)31-35)36-24(8)15-20(4)32-36;3*2-1(3,4)5;;;/h2*9-16,27-28H,1-8H3;3*(H,2,3,4,5);1H;;/q;;;;;;2*+2/p-4
InChIKeySPJSFTNXYQMQOI-UHFFFAOYSA-J
MW1416.94 g/mol
LogP-7.01
Rot. Bonds12

About bis(1-[[3-[bis(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);bis(cobalt(2+));chloride;triperchlorate

bis(1-[[3-[bis(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);bis(cobalt(2+));chloride;triperchlorate (PubChem CID 139144241) has the molecular formula C56H68Cl4Co2N16O12 and a molecular weight of 1416.94 g/mol. Its IUPAC name is bis(1-[[3-[bis(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);bis(cobalt(2+));chloride;triperchlorate.

Molecular Properties

Compound Namebis(1-[[3-[bis(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);bis(cobalt(2+));chloride;triperchlorate
PubChem CID139144241
Molecular FormulaC56H68Cl4Co2N16O12
Molecular Weight1416.94 g/mol
Exact Mass1414.26
IUPAC Namebis(1-[[3-[bis(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);bis(cobalt(2+));chloride;triperchlorate
SMILESCc1cc(C)n(C(c2cccc(C(n3nc(C)cc3C)n3nc(C)cc3C)c2)n2nc(C)cc2C)n1.Cc1cc(C)n(C(c2cccc(C(n3nc(C)cc3C)n3nc(C)cc3C)c2)n2nc(C)cc2C)n1.[Cl-].[Co+2].[Co+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C28H34N8.3ClHO4.ClH.2Co/c2*1-17-12-21(5)33(29-17)27(34-22(6)13-18(2)30-34)25-10-9-11-26(16-25)28(35-23(7)14-19(3)31-35)36-24(8)15-20(4)32-36;3*2-1(3,4)5;;;/h2*9-16,27-28H,1-8H3;3*(H,2,3,4,5);1H;;/q;;;;;;2*+2/p-4
InChIKeySPJSFTNXYQMQOI-UHFFFAOYSA-J
XLogP-7.01
TPSA419.28 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds12
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001416.94
LogP ≤ 5-7.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze bis(1-[[3-[bis(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);bis(cobalt(2+));chloride;triperchlorate with MolForge

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Related Compounds

Bis[bis(3-phenylpyrazol-1-yl)(pyrazol-1-yl)methane]copper(II) bis(perchlorate) acetonitrile solvate
CID 139059349
Dicopper;bis(1-[[3-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);hydroxide;triperchlorate;dihydrate
CID 139140664
Disilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);diperchlorate
CID 139147455
Dioxidanium;tetrakis(cadmium(2+));bis(1-[[3-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);tetrakis(propan-2-one);tetrahydroxide;tetraperchlorate
CID 168338079
1-[Bis(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole;tert-butylimino(dichloro)titanium;dichloro-[2,6-di(propan-2-yl)phenyl]iminotitanium;1,4,7-trimethyl-1,4,7-triazonane
CID 163670025

Frequently Asked Questions

What is the IUPAC name of bis(1-[[3-[bis(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);bis(cobalt(2+));chloride;triperchlorate?
The IUPAC name of bis(1-[[3-[bis(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);bis(cobalt(2+));chloride;triperchlorate (CID 139144241) is bis(1-[[3-[bis(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);bis(cobalt(2+));chloride;triperchlorate.
What is the SMILES notation for bis(1-[[3-[bis(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);bis(cobalt(2+));chloride;triperchlorate?
The canonical SMILES for bis(1-[[3-[bis(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);bis(cobalt(2+));chloride;triperchlorate is Cc1cc(C)n(C(c2cccc(C(n3nc(C)cc3C)n3nc(C)cc3C)c2)n2nc(C)cc2C)n1.Cc1cc(C)n(C(c2cccc(C(n3nc(C)cc3C)n3nc(C)cc3C)c2)n2nc(C)cc2C)n1.[Cl-].[Co+2].[Co+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of bis(1-[[3-[bis(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);bis(cobalt(2+));chloride;triperchlorate?
The InChIKey is SPJSFTNXYQMQOI-UHFFFAOYSA-J. The full InChI is InChI=1S/2C28H34N8.3ClHO4.ClH.2Co/c2*1-17-12-21(5)33(29-17)27(34-22(6)13-18(2)30-34)25-10-9-11-26(16-25)28(35-23(7)14-19(3)31-35)36-24(8)15-20(4)32-36;3*2-1(3,4)5;;;/h2*9-16,27-28H,1-8H3;3*(H,2,3,4,5);1H;;/q;;;;;;2*+2/p-4.
What are the key properties of bis(1-[[3-[bis(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);bis(cobalt(2+));chloride;triperchlorate?
bis(1-[[3-[bis(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);bis(cobalt(2+));chloride;triperchlorate has a molecular weight of 1416.94 g/mol, XLogP of -7.01, 12 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[[3-[bis(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);bis(cobalt(2+));chloride;triperchlorate is sourced from PubChem (CID 139144241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).