dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate;oxolane;hydroxide;diperchlorate

C37H42Cl2Cu2N6O12 — CID 139132811

IUPACdicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate;oxolane;hydroxide;diperchlorate
SMILESC1CCOC1.COc1cc(CN(Cc2ccccn2)Cc2ccccn2)c([O-])c(CN(Cc2ccccn2)Cc2ccccn2)c1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[OH-]
InChIInChI=1S/C33H34N6O2.C4H8O.2ClHO4.2Cu.H2O/c1-41-32-18-26(20-38(22-28-10-2-6-14-34-28)23-29-11-3-7-15-35-29)33(40)27(19-32)21-39(24-30-12-4-8-16-36-30)25-31-13-5-9-17-37-31;1-2-4-5-3-1;2*2-1(3,4)5;;;/h2-19,40H,20-25H2,1H3;1-4H2;2*(H,2,3,4,5);;;1H2/q;;;;2*+2;/p-4
InChIKeyQVZPFCXZYWZDGK-UHFFFAOYSA-J
MW960.77 g/mol
LogP-4.14
Rot. Bonds13

About dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate;oxolane;hydroxide;diperchlorate

dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate;oxolane;hydroxide;diperchlorate (PubChem CID 139132811) has the molecular formula C37H42Cl2Cu2N6O12 and a molecular weight of 960.77 g/mol. Its IUPAC name is dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate;oxolane;hydroxide;diperchlorate.

Molecular Properties

Compound Namedicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate;oxolane;hydroxide;diperchlorate
PubChem CID139132811
Molecular FormulaC37H42Cl2Cu2N6O12
Molecular Weight960.77 g/mol
Exact Mass958.08
IUPAC Namedicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate;oxolane;hydroxide;diperchlorate
SMILESC1CCOC1.COc1cc(CN(Cc2ccccn2)Cc2ccccn2)c([O-])c(CN(Cc2ccccn2)Cc2ccccn2)c1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[OH-]
InChIInChI=1S/C33H34N6O2.C4H8O.2ClHO4.2Cu.H2O/c1-41-32-18-26(20-38(22-28-10-2-6-14-34-28)23-29-11-3-7-15-35-29)33(40)27(19-32)21-39(24-30-12-4-8-16-36-30)25-31-13-5-9-17-37-31;1-2-4-5-3-1;2*2-1(3,4)5;;;/h2-19,40H,20-25H2,1H3;1-4H2;2*(H,2,3,4,5);;;1H2/q;;;;2*+2;/p-4
InChIKeyQVZPFCXZYWZDGK-UHFFFAOYSA-J
XLogP-4.14
TPSA314.04 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500960.77
LogP ≤ 5-4.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate;oxolane;hydroxide;diperchlorate with MolForge

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Launch Full Analysis

Related Compounds

Dicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate
CID 139057719
(mu-Acetato-kappa^2^O:O')[mu-2,6-bis({bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}methyl)-4-methylphenolato-kappa^2^O:O](methanol-kappaO)dizinc bis(perchlorate)
CID 139086488
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-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
Dizinc;tris(acetonitrile);2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methylphenolate;hydroxide;diperchlorate
CID 139152305
Dicopper;tetrakis(acetonitrile);bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate);diperchlorate
CID 139160139
Tetracopper;ethoxyethane;tetrakis(2-[4-[2-hydroxyethyl(pyridin-2-ylmethyl)amino]butyliminomethyl]-6-methoxyphenolate);tetraperchlorate
CID 139177154
2,6-Bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methylphenolate;ethoxyethane;bis(manganese(3+));diacetate;perchlorate
CID 168337192
Dicopper;dioxidanium;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-fluorophenolate;propan-2-one;triperchlorate
CID 168337316

Frequently Asked Questions

What is the IUPAC name of dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate;oxolane;hydroxide;diperchlorate?
The IUPAC name of dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate;oxolane;hydroxide;diperchlorate (CID 139132811) is dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate;oxolane;hydroxide;diperchlorate.
What is the SMILES notation for dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate;oxolane;hydroxide;diperchlorate?
The canonical SMILES for dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate;oxolane;hydroxide;diperchlorate is C1CCOC1.COc1cc(CN(Cc2ccccn2)Cc2ccccn2)c([O-])c(CN(Cc2ccccn2)Cc2ccccn2)c1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[OH-].
What is the InChIKey of dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate;oxolane;hydroxide;diperchlorate?
The InChIKey is QVZPFCXZYWZDGK-UHFFFAOYSA-J. The full InChI is InChI=1S/C33H34N6O2.C4H8O.2ClHO4.2Cu.H2O/c1-41-32-18-26(20-38(22-28-10-2-6-14-34-28)23-29-11-3-7-15-35-29)33(40)27(19-32)21-39(24-30-12-4-8-16-36-30)25-31-13-5-9-17-37-31;1-2-4-5-3-1;2*2-1(3,4)5;;;/h2-19,40H,20-25H2,1H3;1-4H2;2*(H,2,3,4,5);;;1H2/q;;;;2*+2;/p-4.
What are the key properties of dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate;oxolane;hydroxide;diperchlorate?
dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate;oxolane;hydroxide;diperchlorate has a molecular weight of 960.77 g/mol, XLogP of -4.14, 13 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate;oxolane;hydroxide;diperchlorate is sourced from PubChem (CID 139132811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).