bis(copper(1+));bis(N,N-dimethylformamide);bis(N-pyridin-2-yl-N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate)

C40H42Cu2F6N10O8S2 — CID 139156245

IUPACbis(copper(1+));bis(N,N-dimethylformamide);bis(N-pyridin-2-yl-N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate)
SMILESCN(C)C=O.CN(C)C=O.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+].[Cu+].c1ccc(CN(c2ccccn2)c2ccccn2)nc1.c1ccc(CN(c2ccccn2)c2ccccn2)nc1
InChIInChI=1S/2C16H14N4.2C3H7NO.2CHF3O3S.2Cu/c2*1-4-10-17-14(7-1)13-20(15-8-2-5-11-18-15)16-9-3-6-12-19-16;2*1-4(2)3-5;2*2-1(3,4)8(5,6)7;;/h2*1-12H,13H2;2*3H,1-2H3;2*(H,5,6,7);;/q;;;;;;2*+1/p-2
InChIKeyZTXZOYLQQLBRJI-UHFFFAOYSA-L
MW1096.05 g/mol
LogP5.93
Rot. Bonds10

About bis(copper(1+));bis(N,N-dimethylformamide);bis(N-pyridin-2-yl-N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate)

bis(copper(1+));bis(N,N-dimethylformamide);bis(N-pyridin-2-yl-N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate) (PubChem CID 139156245) has the molecular formula C40H42Cu2F6N10O8S2 and a molecular weight of 1096.05 g/mol. Its IUPAC name is bis(copper(1+));bis(N,N-dimethylformamide);bis(N-pyridin-2-yl-N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namebis(copper(1+));bis(N,N-dimethylformamide);bis(N-pyridin-2-yl-N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate)
PubChem CID139156245
Molecular FormulaC40H42Cu2F6N10O8S2
Molecular Weight1096.05 g/mol
Exact Mass1094.11
IUPAC Namebis(copper(1+));bis(N,N-dimethylformamide);bis(N-pyridin-2-yl-N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate)
SMILESCN(C)C=O.CN(C)C=O.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+].[Cu+].c1ccc(CN(c2ccccn2)c2ccccn2)nc1.c1ccc(CN(c2ccccn2)c2ccccn2)nc1
InChIInChI=1S/2C16H14N4.2C3H7NO.2CHF3O3S.2Cu/c2*1-4-10-17-14(7-1)13-20(15-8-2-5-11-18-15)16-9-3-6-12-19-16;2*1-4(2)3-5;2*2-1(3,4)8(5,6)7;;/h2*1-12H,13H2;2*3H,1-2H3;2*(H,5,6,7);;/q;;;;;;2*+1/p-2
InChIKeyZTXZOYLQQLBRJI-UHFFFAOYSA-L
XLogP5.93
TPSA238.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001096.05
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

zinc;methanol;bis(N-pyridin-2-yl-N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate)
CID 139156244

Frequently Asked Questions

What is the IUPAC name of bis(copper(1+));bis(N,N-dimethylformamide);bis(N-pyridin-2-yl-N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate)?
The IUPAC name of bis(copper(1+));bis(N,N-dimethylformamide);bis(N-pyridin-2-yl-N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate) (CID 139156245) is bis(copper(1+));bis(N,N-dimethylformamide);bis(N-pyridin-2-yl-N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate).
What is the SMILES notation for bis(copper(1+));bis(N,N-dimethylformamide);bis(N-pyridin-2-yl-N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate)?
The canonical SMILES for bis(copper(1+));bis(N,N-dimethylformamide);bis(N-pyridin-2-yl-N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate) is CN(C)C=O.CN(C)C=O.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+].[Cu+].c1ccc(CN(c2ccccn2)c2ccccn2)nc1.c1ccc(CN(c2ccccn2)c2ccccn2)nc1.
What is the InChIKey of bis(copper(1+));bis(N,N-dimethylformamide);bis(N-pyridin-2-yl-N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate)?
The InChIKey is ZTXZOYLQQLBRJI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H14N4.2C3H7NO.2CHF3O3S.2Cu/c2*1-4-10-17-14(7-1)13-20(15-8-2-5-11-18-15)16-9-3-6-12-19-16;2*1-4(2)3-5;2*2-1(3,4)8(5,6)7;;/h2*1-12H,13H2;2*3H,1-2H3;2*(H,5,6,7);;/q;;;;;;2*+1/p-2.
What are the key properties of bis(copper(1+));bis(N,N-dimethylformamide);bis(N-pyridin-2-yl-N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate)?
bis(copper(1+));bis(N,N-dimethylformamide);bis(N-pyridin-2-yl-N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate) has a molecular weight of 1096.05 g/mol, XLogP of 5.93, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(copper(1+));bis(N,N-dimethylformamide);bis(N-pyridin-2-yl-N-(pyridin-2-ylmethyl)pyridin-2-amine);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139156245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).