dicopper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(2,5,12,15-tetraoxa-21,24,27-triazatetracyclo[27.2.2.216,19.06,11]pentatriaconta-1(32),6,8,10,16,18,29(33),30,34-nonaene);tetraperchlorate

C80H94Cl4Cu2N10O24 — CID 139166091

IUPACdicopper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(2,5,12,15-tetraoxa-21,24,27-triazatetracyclo[27.2.2.216,19.06,11]pentatriaconta-1(32),6,8,10,16,18,29(33),30,34-nonaene);tetraperchlorate
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc2c(c1)OCCOc1ccc(cc1)CNCCNCCNCc1ccc(cc1)OCCO2.c1ccc2c(c1)OCCOc1ccc(cc1)CNCCNCCNCc1ccc(cc1)OCCO2
InChIInChI=1S/2C28H35N3O4.2C12H12N2.4ClHO4.2Cu/c2*1-2-4-28-27(3-1)34-19-17-32-25-9-5-23(6-10-25)21-30-15-13-29-14-16-31-22-24-7-11-26(12-8-24)33-18-20-35-28;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;4*2-1(3,4)5;;/h2*1-12,29-31H,13-22H2;2*3-8H,1-2H3;4*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4
InChIKeyPUTQBVAVAODCIM-UHFFFAOYSA-J
MW1848.58 g/mol
LogP-6.74
Rot. Bonds2

About dicopper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(2,5,12,15-tetraoxa-21,24,27-triazatetracyclo[27.2.2.216,19.06,11]pentatriaconta-1(32),6,8,10,16,18,29(33),30,34-nonaene);tetraperchlorate

dicopper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(2,5,12,15-tetraoxa-21,24,27-triazatetracyclo[27.2.2.216,19.06,11]pentatriaconta-1(32),6,8,10,16,18,29(33),30,34-nonaene);tetraperchlorate (PubChem CID 139166091) has the molecular formula C80H94Cl4Cu2N10O24 and a molecular weight of 1848.58 g/mol. Its IUPAC name is dicopper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(2,5,12,15-tetraoxa-21,24,27-triazatetracyclo[27.2.2.216,19.06,11]pentatriaconta-1(32),6,8,10,16,18,29(33),30,34-nonaene);tetraperchlorate.

Molecular Properties

Compound Namedicopper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(2,5,12,15-tetraoxa-21,24,27-triazatetracyclo[27.2.2.216,19.06,11]pentatriaconta-1(32),6,8,10,16,18,29(33),30,34-nonaene);tetraperchlorate
PubChem CID139166091
Molecular FormulaC80H94Cl4Cu2N10O24
Molecular Weight1848.58 g/mol
Exact Mass1844.38
IUPAC Namedicopper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(2,5,12,15-tetraoxa-21,24,27-triazatetracyclo[27.2.2.216,19.06,11]pentatriaconta-1(32),6,8,10,16,18,29(33),30,34-nonaene);tetraperchlorate
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc2c(c1)OCCOc1ccc(cc1)CNCCNCCNCc1ccc(cc1)OCCO2.c1ccc2c(c1)OCCOc1ccc(cc1)CNCCNCCNCc1ccc(cc1)OCCO2
InChIInChI=1S/2C28H35N3O4.2C12H12N2.4ClHO4.2Cu/c2*1-2-4-28-27(3-1)34-19-17-32-25-9-5-23(6-10-25)21-30-15-13-29-14-16-31-22-24-7-11-26(12-8-24)33-18-20-35-28;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;4*2-1(3,4)5;;/h2*1-12,29-31H,13-22H2;2*3-8H,1-2H3;4*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4
InChIKeyPUTQBVAVAODCIM-UHFFFAOYSA-J
XLogP-6.74
TPSA566.54 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds2
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001848.58
LogP ≤ 5-6.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Analyze dicopper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(2,5,12,15-tetraoxa-21,24,27-triazatetracyclo[27.2.2.216,19.06,11]pentatriaconta-1(32),6,8,10,16,18,29(33),30,34-nonaene);tetraperchlorate with MolForge

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Frequently Asked Questions

What is the IUPAC name of dicopper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(2,5,12,15-tetraoxa-21,24,27-triazatetracyclo[27.2.2.216,19.06,11]pentatriaconta-1(32),6,8,10,16,18,29(33),30,34-nonaene);tetraperchlorate?
The IUPAC name of dicopper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(2,5,12,15-tetraoxa-21,24,27-triazatetracyclo[27.2.2.216,19.06,11]pentatriaconta-1(32),6,8,10,16,18,29(33),30,34-nonaene);tetraperchlorate (CID 139166091) is dicopper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(2,5,12,15-tetraoxa-21,24,27-triazatetracyclo[27.2.2.216,19.06,11]pentatriaconta-1(32),6,8,10,16,18,29(33),30,34-nonaene);tetraperchlorate.
What is the SMILES notation for dicopper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(2,5,12,15-tetraoxa-21,24,27-triazatetracyclo[27.2.2.216,19.06,11]pentatriaconta-1(32),6,8,10,16,18,29(33),30,34-nonaene);tetraperchlorate?
The canonical SMILES for dicopper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(2,5,12,15-tetraoxa-21,24,27-triazatetracyclo[27.2.2.216,19.06,11]pentatriaconta-1(32),6,8,10,16,18,29(33),30,34-nonaene);tetraperchlorate is Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc2c(c1)OCCOc1ccc(cc1)CNCCNCCNCc1ccc(cc1)OCCO2.c1ccc2c(c1)OCCOc1ccc(cc1)CNCCNCCNCc1ccc(cc1)OCCO2.
What is the InChIKey of dicopper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(2,5,12,15-tetraoxa-21,24,27-triazatetracyclo[27.2.2.216,19.06,11]pentatriaconta-1(32),6,8,10,16,18,29(33),30,34-nonaene);tetraperchlorate?
The InChIKey is PUTQBVAVAODCIM-UHFFFAOYSA-J. The full InChI is InChI=1S/2C28H35N3O4.2C12H12N2.4ClHO4.2Cu/c2*1-2-4-28-27(3-1)34-19-17-32-25-9-5-23(6-10-25)21-30-15-13-29-14-16-31-22-24-7-11-26(12-8-24)33-18-20-35-28;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;4*2-1(3,4)5;;/h2*1-12,29-31H,13-22H2;2*3-8H,1-2H3;4*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4.
What are the key properties of dicopper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(2,5,12,15-tetraoxa-21,24,27-triazatetracyclo[27.2.2.216,19.06,11]pentatriaconta-1(32),6,8,10,16,18,29(33),30,34-nonaene);tetraperchlorate?
dicopper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(2,5,12,15-tetraoxa-21,24,27-triazatetracyclo[27.2.2.216,19.06,11]pentatriaconta-1(32),6,8,10,16,18,29(33),30,34-nonaene);tetraperchlorate has a molecular weight of 1848.58 g/mol, XLogP of -6.74, 2 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(2,5,12,15-tetraoxa-21,24,27-triazatetracyclo[27.2.2.216,19.06,11]pentatriaconta-1(32),6,8,10,16,18,29(33),30,34-nonaene);tetraperchlorate is sourced from PubChem (CID 139166091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).