dicopper;bis(acetonitrile);bis(pyrazol-1-ide);bis(3,4,7,8-tetramethyl-1,10-phenanthroline);diperchlorate

C42H44Cl2Cu2N10O8 — CID 139201258

IUPACdicopper;bis(acetonitrile);bis(pyrazol-1-ide);bis(3,4,7,8-tetramethyl-1,10-phenanthroline);diperchlorate
SMILESCC#N.CC#N.Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cn[n-]c1.c1cn[n-]c1
InChIInChI=1S/2C16H16N2.2C3H3N2.2C2H3N.2ClHO4.2Cu/c2*1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15;2*1-2-4-5-3-1;2*1-2-3;2*2-1(3,4)5;;/h2*5-8H,1-4H3;2*1-3H;2*1H3;2*(H,2,3,4,5);;/q;;2*-1;;;;;2*+2/p-2
InChIKeyCKZVMNQJLFVBSB-UHFFFAOYSA-L
MW1014.87 g/mol
LogP-0.35
Rot. Bonds

About dicopper;bis(acetonitrile);bis(pyrazol-1-ide);bis(3,4,7,8-tetramethyl-1,10-phenanthroline);diperchlorate

dicopper;bis(acetonitrile);bis(pyrazol-1-ide);bis(3,4,7,8-tetramethyl-1,10-phenanthroline);diperchlorate (PubChem CID 139201258) has the molecular formula C42H44Cl2Cu2N10O8 and a molecular weight of 1014.87 g/mol. Its IUPAC name is dicopper;bis(acetonitrile);bis(pyrazol-1-ide);bis(3,4,7,8-tetramethyl-1,10-phenanthroline);diperchlorate.

Molecular Properties

Compound Namedicopper;bis(acetonitrile);bis(pyrazol-1-ide);bis(3,4,7,8-tetramethyl-1,10-phenanthroline);diperchlorate
PubChem CID139201258
Molecular FormulaC42H44Cl2Cu2N10O8
Molecular Weight1014.87 g/mol
Exact Mass1012.13
IUPAC Namedicopper;bis(acetonitrile);bis(pyrazol-1-ide);bis(3,4,7,8-tetramethyl-1,10-phenanthroline);diperchlorate
SMILESCC#N.CC#N.Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cn[n-]c1.c1cn[n-]c1
InChIInChI=1S/2C16H16N2.2C3H3N2.2C2H3N.2ClHO4.2Cu/c2*1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15;2*1-2-4-5-3-1;2*1-2-3;2*2-1(3,4)5;;/h2*5-8H,1-4H3;2*1-3H;2*1H3;2*(H,2,3,4,5);;/q;;2*-1;;;;;2*+2/p-2
InChIKeyCKZVMNQJLFVBSB-UHFFFAOYSA-L
XLogP-0.35
TPSA337.60 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001014.87
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

azanide;dichloroplatinum;3,4,7,8-tetramethyl-1,10-phenanthroline
CID 23597304
bis(2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene);ruthenium;hexakis(3,4,7,8-tetramethyl-1,10-phenanthroline)
CID 165088824
2,3-dipyridin-2-ylpyrazine;ethane;3,4,7,8-tetramethyl-1,10-phenanthroline
CID 144711240
2,4,7,8-tetramethyl-1,10-phenanthroline
CID 10108527
copper(1+);2,3,4,7,8-pentamethyl-1,10-phenanthroline
CID 21144970
8-chloro-4-methylquinoline-3-carbonitrile
CID 105454918
pyrazol-1-ide;rutherfordium
CID 59475940
copper;tetrakis(acetonitrile);diperchlorate
CID 161459784
tetracopper;pentakis(acetonitrile);benzene;octakis(3,6,9,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene);octaperchlorate
CID 139147875
tetrakis(acetonitrile);cobalt(2+);bis(2-(1,1-dipyridin-2-ylethyl)pyridine);diperchlorate
CID 139165388
acetonitrile;2,6-dipyridin-2-ylpyridine;4-ethynyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate
CID 139139277
2-[5-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-3,4,7,8-tetramethyl-1,10-phenanthroline
CID 175635268

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(acetonitrile);bis(pyrazol-1-ide);bis(3,4,7,8-tetramethyl-1,10-phenanthroline);diperchlorate?
The IUPAC name of dicopper;bis(acetonitrile);bis(pyrazol-1-ide);bis(3,4,7,8-tetramethyl-1,10-phenanthroline);diperchlorate (CID 139201258) is dicopper;bis(acetonitrile);bis(pyrazol-1-ide);bis(3,4,7,8-tetramethyl-1,10-phenanthroline);diperchlorate.
What is the SMILES notation for dicopper;bis(acetonitrile);bis(pyrazol-1-ide);bis(3,4,7,8-tetramethyl-1,10-phenanthroline);diperchlorate?
The canonical SMILES for dicopper;bis(acetonitrile);bis(pyrazol-1-ide);bis(3,4,7,8-tetramethyl-1,10-phenanthroline);diperchlorate is CC#N.CC#N.Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cn[n-]c1.c1cn[n-]c1.
What is the InChIKey of dicopper;bis(acetonitrile);bis(pyrazol-1-ide);bis(3,4,7,8-tetramethyl-1,10-phenanthroline);diperchlorate?
The InChIKey is CKZVMNQJLFVBSB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H16N2.2C3H3N2.2C2H3N.2ClHO4.2Cu/c2*1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15;2*1-2-4-5-3-1;2*1-2-3;2*2-1(3,4)5;;/h2*5-8H,1-4H3;2*1-3H;2*1H3;2*(H,2,3,4,5);;/q;;2*-1;;;;;2*+2/p-2.
What are the key properties of dicopper;bis(acetonitrile);bis(pyrazol-1-ide);bis(3,4,7,8-tetramethyl-1,10-phenanthroline);diperchlorate?
dicopper;bis(acetonitrile);bis(pyrazol-1-ide);bis(3,4,7,8-tetramethyl-1,10-phenanthroline);diperchlorate has a molecular weight of 1014.87 g/mol, XLogP of -0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(acetonitrile);bis(pyrazol-1-ide);bis(3,4,7,8-tetramethyl-1,10-phenanthroline);diperchlorate is sourced from PubChem (CID 139201258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).