dicopper;tetrakis(acetonitrile);bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate);diperchlorate

C48H52Cl2Cu2N10O12 — CID 139160139

IUPACdicopper;tetrakis(acetonitrile);bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate);diperchlorate
SMILESCC#N.CC#N.CC#N.CC#N.COc1ccc([O-])c(CN(Cc2ccccn2)Cc2ccccn2)c1.COc1ccc([O-])c(CN(Cc2ccccn2)Cc2ccccn2)c1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C20H21N3O2.4C2H3N.2ClHO4.2Cu/c2*1-25-19-8-9-20(24)16(12-19)13-23(14-17-6-2-4-10-21-17)15-18-7-3-5-11-22-18;4*1-2-3;2*2-1(3,4)5;;/h2*2-12,24H,13-15H2,1H3;4*1H3;2*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4
InChIKeyAFULTBHRJHLJON-UHFFFAOYSA-J
MW1159.00 g/mol
LogP-1.88
Rot. Bonds14

About dicopper;tetrakis(acetonitrile);bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate);diperchlorate

dicopper;tetrakis(acetonitrile);bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate);diperchlorate (PubChem CID 139160139) has the molecular formula C48H52Cl2Cu2N10O12 and a molecular weight of 1159.00 g/mol. Its IUPAC name is dicopper;tetrakis(acetonitrile);bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate);diperchlorate.

Molecular Properties

Compound Namedicopper;tetrakis(acetonitrile);bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate);diperchlorate
PubChem CID139160139
Molecular FormulaC48H52Cl2Cu2N10O12
Molecular Weight1159.00 g/mol
Exact Mass1156.17
IUPAC Namedicopper;tetrakis(acetonitrile);bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate);diperchlorate
SMILESCC#N.CC#N.CC#N.CC#N.COc1ccc([O-])c(CN(Cc2ccccn2)Cc2ccccn2)c1.COc1ccc([O-])c(CN(Cc2ccccn2)Cc2ccccn2)c1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C20H21N3O2.4C2H3N.2ClHO4.2Cu/c2*1-25-19-8-9-20(24)16(12-19)13-23(14-17-6-2-4-10-21-17)15-18-7-3-5-11-22-18;4*1-2-3;2*2-1(3,4)5;;/h2*2-12,24H,13-15H2,1H3;4*1H3;2*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4
InChIKeyAFULTBHRJHLJON-UHFFFAOYSA-J
XLogP-1.88
TPSA402.26 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds14
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001159.00
LogP ≤ 5-1.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

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Related Compounds

Dicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate
CID 139057719
Bis(2-[[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenolate);bis(manganese(2+));diperchlorate;trihydrate
CID 139125139
Dicopper;2,6-bis[[(6-fluoro-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenolate;hydroxide;diperchlorate;hydrate
CID 139132383
Dicopper;2,6-bis[[(6-fluoro-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenolate;oxolane;hydroxide;diperchlorate
CID 139132384
Dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate;oxolane;hydroxide;diperchlorate
CID 139132811
Dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-fluorophenolate;hydroxide;diperchlorate
CID 139132812
2,5-Bis[[bis(pyridin-2-ylmethyl)amino]methyl]benzene-1,4-diolate;tetrakis(oxygen(2-));bis(vanadium)
CID 139143407
Bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);molybdenum;tris(oxygen(2-));bis(tetraphenylboranuide)
CID 139148858
Dizinc;tris(acetonitrile);2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methylphenolate;hydroxide;diperchlorate
CID 139152305
Bis(cobalt(3+));tetrakis(2-methoxy-6-[(pyridin-2-ylmethylamino)methyl]phenolate);diperchlorate;dihydrate
CID 139152392
acetonitrile;2-[6-[(R)-[bis(pyridin-2-ylmethyl)amino]-[6-(2,6-difluorophenyl)-2-pyridinyl]methyl]-2-pyridinyl]-3-fluorophenolate;iron(4+);diperchlorate
CID 168333320
acetonitrile;1,1-bis[6-(2,6-difluoro-4-methoxyphenyl)-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;iron(3+);diperchlorate
CID 168334611

Frequently Asked Questions

What is the IUPAC name of dicopper;tetrakis(acetonitrile);bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate);diperchlorate?
The IUPAC name of dicopper;tetrakis(acetonitrile);bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate);diperchlorate (CID 139160139) is dicopper;tetrakis(acetonitrile);bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate);diperchlorate.
What is the SMILES notation for dicopper;tetrakis(acetonitrile);bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate);diperchlorate?
The canonical SMILES for dicopper;tetrakis(acetonitrile);bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate);diperchlorate is CC#N.CC#N.CC#N.CC#N.COc1ccc([O-])c(CN(Cc2ccccn2)Cc2ccccn2)c1.COc1ccc([O-])c(CN(Cc2ccccn2)Cc2ccccn2)c1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of dicopper;tetrakis(acetonitrile);bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate);diperchlorate?
The InChIKey is AFULTBHRJHLJON-UHFFFAOYSA-J. The full InChI is InChI=1S/2C20H21N3O2.4C2H3N.2ClHO4.2Cu/c2*1-25-19-8-9-20(24)16(12-19)13-23(14-17-6-2-4-10-21-17)15-18-7-3-5-11-22-18;4*1-2-3;2*2-1(3,4)5;;/h2*2-12,24H,13-15H2,1H3;4*1H3;2*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4.
What are the key properties of dicopper;tetrakis(acetonitrile);bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate);diperchlorate?
dicopper;tetrakis(acetonitrile);bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate);diperchlorate has a molecular weight of 1159.00 g/mol, XLogP of -1.88, 14 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;tetrakis(acetonitrile);bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate);diperchlorate is sourced from PubChem (CID 139160139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).