dicopper;bis(acetonitrile);(2R)-1-[bis(pyridin-2-ylmethyl)amino]-3-[4-[(2R)-3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropyl]piperazine-1,4-diium-1-yl]propan-2-ol;hexaperchlorate;hexahydrate

C38H64Cl6Cu2N10O32 — CID 139163920

IUPACdicopper;bis(acetonitrile);(2R)-1-[bis(pyridin-2-ylmethyl)amino]-3-[4-[(2R)-3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropyl]piperazine-1,4-diium-1-yl]propan-2-ol;hexaperchlorate;hexahydrate
SMILESCC#N.CC#N.O.O.O.O.O.O.O[C@H](CN(Cc1ccccn1)Cc1ccccn1)C[NH+]1CC[NH+](C[C@H](O)CN(Cc2ccccn2)Cc2ccccn2)CC1.[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-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C34H44N8O2.2C2H3N.6ClHO4.2Cu.6H2O/c43-33(27-41(21-29-9-1-5-13-35-29)22-30-10-2-6-14-36-30)25-39-17-19-40(20-18-39)26-34(44)28-42(23-31-11-3-7-15-37-31)24-32-12-4-8-16-38-32;2*1-2-3;6*2-1(3,4)5;;;;;;;;/h1-16,33-34,43-44H,17-28H2;2*1H3;6*(H,2,3,4,5);;;6*1H2/q;;;;;;;;;2*+2;;;;;;/p-4/t33-,34-;;;;;;;;;;;;;;;;/m0................/s1
InChIKeyWMAPFPSZLNYNOC-AFJCNEDRSA-J
MW1512.78 g/mol
LogP-32.95
Rot. Bonds16

About dicopper;bis(acetonitrile);(2R)-1-[bis(pyridin-2-ylmethyl)amino]-3-[4-[(2R)-3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropyl]piperazine-1,4-diium-1-yl]propan-2-ol;hexaperchlorate;hexahydrate

dicopper;bis(acetonitrile);(2R)-1-[bis(pyridin-2-ylmethyl)amino]-3-[4-[(2R)-3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropyl]piperazine-1,4-diium-1-yl]propan-2-ol;hexaperchlorate;hexahydrate (PubChem CID 139163920) has the molecular formula C38H64Cl6Cu2N10O32 and a molecular weight of 1512.78 g/mol. Its IUPAC name is dicopper;bis(acetonitrile);(2R)-1-[bis(pyridin-2-ylmethyl)amino]-3-[4-[(2R)-3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropyl]piperazine-1,4-diium-1-yl]propan-2-ol;hexaperchlorate;hexahydrate.

Molecular Properties

Compound Namedicopper;bis(acetonitrile);(2R)-1-[bis(pyridin-2-ylmethyl)amino]-3-[4-[(2R)-3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropyl]piperazine-1,4-diium-1-yl]propan-2-ol;hexaperchlorate;hexahydrate
PubChem CID139163920
Molecular FormulaC38H64Cl6Cu2N10O32
Molecular Weight1512.78 g/mol
Exact Mass1508.04
IUPAC Namedicopper;bis(acetonitrile);(2R)-1-[bis(pyridin-2-ylmethyl)amino]-3-[4-[(2R)-3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropyl]piperazine-1,4-diium-1-yl]propan-2-ol;hexaperchlorate;hexahydrate
SMILESCC#N.CC#N.O.O.O.O.O.O.O[C@H](CN(Cc1ccccn1)Cc1ccccn1)C[NH+]1CC[NH+](C[C@H](O)CN(Cc2ccccn2)Cc2ccccn2)CC1.[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-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C34H44N8O2.2C2H3N.6ClHO4.2Cu.6H2O/c43-33(27-41(21-29-9-1-5-13-35-29)22-30-10-2-6-14-36-30)25-39-17-19-40(20-18-39)26-34(44)28-42(23-31-11-3-7-15-37-31)24-32-12-4-8-16-38-32;2*1-2-3;6*2-1(3,4)5;;;;;;;;/h1-16,33-34,43-44H,17-28H2;2*1H3;6*(H,2,3,4,5);;;6*1H2/q;;;;;;;;;2*+2;;;;;;/p-4/t33-,34-;;;;;;;;;;;;;;;;/m0................/s1
InChIKeyWMAPFPSZLNYNOC-AFJCNEDRSA-J
XLogP-32.95
TPSA897.40 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds16
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001512.78
LogP ≤ 5-32.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

Analyze dicopper;bis(acetonitrile);(2R)-1-[bis(pyridin-2-ylmethyl)amino]-3-[4-[(2R)-3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropyl]piperazine-1,4-diium-1-yl]propan-2-ol;hexaperchlorate;hexahydrate with MolForge

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Launch Full Analysis

Related Compounds

Cu-tpbn
CID 139048259
Bis-dioxo ((N,N,N',N'-tetrakis (2-pyridylmethyl-2-ol-1,3-propanediamine)-divanadium (V) Iodide dihydrate ((VO~2~)~2~ (TPHPN))I.2H~2~O
CID 139054289
Di-mu-oxido-bis{bis[N,N'-bis(2-pyridylpyridyl)ethane-1,2-diamine]manganese(III,IV)} tris(perchlorate) hexahydrate
CID 139060783
Tetrakis(2,2'-bipyridine)-1kappa^4^N,N';4kappa^4^N,N'-{mu~4~-N,N'-bis[3-(2-oxidoethylamino)propyl]oxamidato(4-)-1:2:3:4kappaO:kappa^3^N,N',O':kappa^3^O'', N'',N''':kappaO'''}tetracopper(II) tetrakis(perchlorate)
CID 139060981
zinc;(1R,5S,7S,12S,16R,18R)-5,16-dimethyl-2,13-bis(pyridin-2-ylmethyl)-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosane;dichloride;decahydrate
CID 139062983
Bis[N-ethyl-N'-(pyridin-2-ylmethylene)ethane-1,2-diamine]nickel(II) bis(perchlorate)
CID 139072541
Bis[4'-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)-2,2':6',2''-terpyridine]cobalt(III) tris(perchlorate) methanol monosolvate monohydrate
CID 139087567
{1,1'-Bis[(pyridin-2-yl)methyl]-2,2'-bipiperidyl}(perchlorato)copper(II) perchlorate
CID 139088374
octacopper;hexakis(acetonitrile);octakis(N-(pyridin-2-ylmethyl)ethanimidate);tetrahydroxide;tetraperchlorate
CID 139130588
dicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanol;methanolate;diperchlorate
CID 139130917
Dicopper;bis(1,4-bis(pyridin-2-ylmethyl)piperazine);tetraperchlorate
CID 139136687
dicopper;3,6-dioxocyclohexa-1,4-diene-1,4-diolate;methanol;bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);diperchlorate
CID 139140081

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(acetonitrile);(2R)-1-[bis(pyridin-2-ylmethyl)amino]-3-[4-[(2R)-3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropyl]piperazine-1,4-diium-1-yl]propan-2-ol;hexaperchlorate;hexahydrate?
The IUPAC name of dicopper;bis(acetonitrile);(2R)-1-[bis(pyridin-2-ylmethyl)amino]-3-[4-[(2R)-3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropyl]piperazine-1,4-diium-1-yl]propan-2-ol;hexaperchlorate;hexahydrate (CID 139163920) is dicopper;bis(acetonitrile);(2R)-1-[bis(pyridin-2-ylmethyl)amino]-3-[4-[(2R)-3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropyl]piperazine-1,4-diium-1-yl]propan-2-ol;hexaperchlorate;hexahydrate.
What is the SMILES notation for dicopper;bis(acetonitrile);(2R)-1-[bis(pyridin-2-ylmethyl)amino]-3-[4-[(2R)-3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropyl]piperazine-1,4-diium-1-yl]propan-2-ol;hexaperchlorate;hexahydrate?
The canonical SMILES for dicopper;bis(acetonitrile);(2R)-1-[bis(pyridin-2-ylmethyl)amino]-3-[4-[(2R)-3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropyl]piperazine-1,4-diium-1-yl]propan-2-ol;hexaperchlorate;hexahydrate is CC#N.CC#N.O.O.O.O.O.O.O[C@H](CN(Cc1ccccn1)Cc1ccccn1)C[NH+]1CC[NH+](C[C@H](O)CN(Cc2ccccn2)Cc2ccccn2)CC1.[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-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of dicopper;bis(acetonitrile);(2R)-1-[bis(pyridin-2-ylmethyl)amino]-3-[4-[(2R)-3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropyl]piperazine-1,4-diium-1-yl]propan-2-ol;hexaperchlorate;hexahydrate?
The InChIKey is WMAPFPSZLNYNOC-AFJCNEDRSA-J. The full InChI is InChI=1S/C34H44N8O2.2C2H3N.6ClHO4.2Cu.6H2O/c43-33(27-41(21-29-9-1-5-13-35-29)22-30-10-2-6-14-36-30)25-39-17-19-40(20-18-39)26-34(44)28-42(23-31-11-3-7-15-37-31)24-32-12-4-8-16-38-32;2*1-2-3;6*2-1(3,4)5;;;;;;;;/h1-16,33-34,43-44H,17-28H2;2*1H3;6*(H,2,3,4,5);;;6*1H2/q;;;;;;;;;2*+2;;;;;;/p-4/t33-,34-;;;;;;;;;;;;;;;;/m0................/s1.
What are the key properties of dicopper;bis(acetonitrile);(2R)-1-[bis(pyridin-2-ylmethyl)amino]-3-[4-[(2R)-3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropyl]piperazine-1,4-diium-1-yl]propan-2-ol;hexaperchlorate;hexahydrate?
dicopper;bis(acetonitrile);(2R)-1-[bis(pyridin-2-ylmethyl)amino]-3-[4-[(2R)-3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropyl]piperazine-1,4-diium-1-yl]propan-2-ol;hexaperchlorate;hexahydrate has a molecular weight of 1512.78 g/mol, XLogP of -32.95, 16 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(acetonitrile);(2R)-1-[bis(pyridin-2-ylmethyl)amino]-3-[4-[(2R)-3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropyl]piperazine-1,4-diium-1-yl]propan-2-ol;hexaperchlorate;hexahydrate is sourced from PubChem (CID 139163920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).