dicopper;bis(acetonitrile);1-[6-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraperchlorate

C46H44Cl4Cu2N10O16 — CID 139130879

IUPACdicopper;bis(acetonitrile);1-[6-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraperchlorate
SMILESCC#N.CC#N.[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-].c1ccc(CN(Cc2ccccn2)Cc2cccc(-c3ccc(-c4cccc(CN(Cc5ccccn5)Cc5ccccn5)n4)cc3)n2)nc1
InChIInChI=1S/C42H38N8.2C2H3N.4ClHO4.2Cu/c1-5-23-43-35(11-1)27-49(28-36-12-2-6-24-44-36)31-39-15-9-17-41(47-39)33-19-21-34(22-20-33)42-18-10-16-40(48-42)32-50(29-37-13-3-7-25-45-37)30-38-14-4-8-26-46-38;2*1-2-3;4*2-1(3,4)5;;/h1-26H,27-32H2;2*1H3;4*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4
InChIKeyUGOZDOPIDKNFMH-UHFFFAOYSA-J
MW1261.82 g/mol
LogP-10.17
Rot. Bonds14

About dicopper;bis(acetonitrile);1-[6-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraperchlorate

dicopper;bis(acetonitrile);1-[6-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraperchlorate (PubChem CID 139130879) has the molecular formula C46H44Cl4Cu2N10O16 and a molecular weight of 1261.82 g/mol. Its IUPAC name is dicopper;bis(acetonitrile);1-[6-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraperchlorate.

Molecular Properties

Compound Namedicopper;bis(acetonitrile);1-[6-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraperchlorate
PubChem CID139130879
Molecular FormulaC46H44Cl4Cu2N10O16
Molecular Weight1261.82 g/mol
Exact Mass1258.03
IUPAC Namedicopper;bis(acetonitrile);1-[6-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraperchlorate
SMILESCC#N.CC#N.[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-].c1ccc(CN(Cc2ccccn2)Cc2cccc(-c3ccc(-c4cccc(CN(Cc5ccccn5)Cc5ccccn5)n4)cc3)n2)nc1
InChIInChI=1S/C42H38N8.2C2H3N.4ClHO4.2Cu/c1-5-23-43-35(11-1)27-49(28-36-12-2-6-24-44-36)31-39-15-9-17-41(47-39)33-19-21-34(22-20-33)42-18-10-16-40(48-42)32-50(29-37-13-3-7-25-45-37)30-38-14-4-8-26-46-38;2*1-2-3;4*2-1(3,4)5;;/h1-26H,27-32H2;2*1H3;4*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4
InChIKeyUGOZDOPIDKNFMH-UHFFFAOYSA-J
XLogP-10.17
TPSA500.36 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds14
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001261.82
LogP ≤ 5-10.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze dicopper;bis(acetonitrile);1-[6-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraperchlorate with MolForge

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Related Compounds

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Ru(II)(bpy)2(Mebpy-cyclam-Cu(II))
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Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
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Ru(II)(bpy)2(Mebpy-cyclam-Co(III)-Cl2)
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[mu-1,2-Bis(4-pyridyl)ethane-kappa^2^N:N']bis[(4'-phenyl-2,2':6',2''-terpyridine-kappa^3^N,N',N'')silver(I)] bis(trifluoromethanesulfonate)
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2,6-Dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine;tetrakis(iridium(3+));4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine;dodecacyanide
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4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);methane;bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);pentafluoro-lambda5-phosphane;tris(2-pyridin-2-ylpyridine);fluoride
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pentakis(iron(2+));pentakis(N-[(4-methylphenyl)methyl]-1-[5-[2-[6-[5-[2-[6-[(4-methylphenyl)methyliminomethyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]methanimine)
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pentakis(N-[(2R)-butan-2-yl]-1-[5-[2-[6-[5-[2-[6-[[(2R)-butan-2-yl]iminomethyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]methanimine);pentakis(iron(2+))
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pentakis(N-[(2S)-butan-2-yl]-1-[5-[2-[6-[5-[2-[6-[[(2S)-butan-2-yl]iminomethyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]methanimine);pentakis(iron(2+))
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Frequently Asked Questions

What is the IUPAC name of dicopper;bis(acetonitrile);1-[6-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraperchlorate?
The IUPAC name of dicopper;bis(acetonitrile);1-[6-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraperchlorate (CID 139130879) is dicopper;bis(acetonitrile);1-[6-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraperchlorate.
What is the SMILES notation for dicopper;bis(acetonitrile);1-[6-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraperchlorate?
The canonical SMILES for dicopper;bis(acetonitrile);1-[6-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraperchlorate is CC#N.CC#N.[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-].c1ccc(CN(Cc2ccccn2)Cc2cccc(-c3ccc(-c4cccc(CN(Cc5ccccn5)Cc5ccccn5)n4)cc3)n2)nc1.
What is the InChIKey of dicopper;bis(acetonitrile);1-[6-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraperchlorate?
The InChIKey is UGOZDOPIDKNFMH-UHFFFAOYSA-J. The full InChI is InChI=1S/C42H38N8.2C2H3N.4ClHO4.2Cu/c1-5-23-43-35(11-1)27-49(28-36-12-2-6-24-44-36)31-39-15-9-17-41(47-39)33-19-21-34(22-20-33)42-18-10-16-40(48-42)32-50(29-37-13-3-7-25-45-37)30-38-14-4-8-26-46-38;2*1-2-3;4*2-1(3,4)5;;/h1-26H,27-32H2;2*1H3;4*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4.
What are the key properties of dicopper;bis(acetonitrile);1-[6-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraperchlorate?
dicopper;bis(acetonitrile);1-[6-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraperchlorate has a molecular weight of 1261.82 g/mol, XLogP of -10.17, 14 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(acetonitrile);1-[6-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraperchlorate is sourced from PubChem (CID 139130879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).