disilver;bis(dichloromethane);bis(1-N,3-N-dimethyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide);bis(2,2,2-trifluoroacetate)

C46H40Ag2Cl4F6N8O8 — CID 139129295

IUPACdisilver;bis(dichloromethane);bis(1-N,3-N-dimethyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide);bis(2,2,2-trifluoroacetate)
SMILESCN(C(=O)c1cccc(C(=O)N(C)c2ccncc2)c1)c1ccncc1.CN(C(=O)c1cccc(C(=O)N(C)c2ccncc2)c1)c1ccncc1.ClCCl.ClCCl.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Ag+].[Ag+]
InChIInChI=1S/2C20H18N4O2.2C2HF3O2.2CH2Cl2.2Ag/c2*1-23(17-6-10-21-11-7-17)19(25)15-4-3-5-16(14-15)20(26)24(2)18-8-12-22-13-9-18;2*3-2(4,5)1(6)7;2*2-1-3;;/h2*3-14H,1-2H3;2*(H,6,7);2*1H2;;/q;;;;;;2*+1/p-2
InChIKeyCBLHHIFTNRQEOX-UHFFFAOYSA-L
MW1304.41 g/mol
LogP7.49
Rot. Bonds8

About disilver;bis(dichloromethane);bis(1-N,3-N-dimethyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide);bis(2,2,2-trifluoroacetate)

disilver;bis(dichloromethane);bis(1-N,3-N-dimethyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide);bis(2,2,2-trifluoroacetate) (PubChem CID 139129295) has the molecular formula C46H40Ag2Cl4F6N8O8 and a molecular weight of 1304.41 g/mol. Its IUPAC name is disilver;bis(dichloromethane);bis(1-N,3-N-dimethyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide);bis(2,2,2-trifluoroacetate).

Molecular Properties

Compound Namedisilver;bis(dichloromethane);bis(1-N,3-N-dimethyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide);bis(2,2,2-trifluoroacetate)
PubChem CID139129295
Molecular FormulaC46H40Ag2Cl4F6N8O8
Molecular Weight1304.41 g/mol
Exact Mass1299.97
IUPAC Namedisilver;bis(dichloromethane);bis(1-N,3-N-dimethyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide);bis(2,2,2-trifluoroacetate)
SMILESCN(C(=O)c1cccc(C(=O)N(C)c2ccncc2)c1)c1ccncc1.CN(C(=O)c1cccc(C(=O)N(C)c2ccncc2)c1)c1ccncc1.ClCCl.ClCCl.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Ag+].[Ag+]
InChIInChI=1S/2C20H18N4O2.2C2HF3O2.2CH2Cl2.2Ag/c2*1-23(17-6-10-21-11-7-17)19(25)15-4-3-5-16(14-15)20(26)24(2)18-8-12-22-13-9-18;2*3-2(4,5)1(6)7;2*2-1-3;;/h2*3-14H,1-2H3;2*(H,6,7);2*1H2;;/q;;;;;;2*+1/p-2
InChIKeyCBLHHIFTNRQEOX-UHFFFAOYSA-L
XLogP7.49
TPSA213.06 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001304.41
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disilver;bis(dichloromethane);bis(1-N,3-N-dimethyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide);bis(2,2,2-trifluoroacetate)?
The IUPAC name of disilver;bis(dichloromethane);bis(1-N,3-N-dimethyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide);bis(2,2,2-trifluoroacetate) (CID 139129295) is disilver;bis(dichloromethane);bis(1-N,3-N-dimethyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide);bis(2,2,2-trifluoroacetate).
What is the SMILES notation for disilver;bis(dichloromethane);bis(1-N,3-N-dimethyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide);bis(2,2,2-trifluoroacetate)?
The canonical SMILES for disilver;bis(dichloromethane);bis(1-N,3-N-dimethyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide);bis(2,2,2-trifluoroacetate) is CN(C(=O)c1cccc(C(=O)N(C)c2ccncc2)c1)c1ccncc1.CN(C(=O)c1cccc(C(=O)N(C)c2ccncc2)c1)c1ccncc1.ClCCl.ClCCl.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Ag+].[Ag+].
What is the InChIKey of disilver;bis(dichloromethane);bis(1-N,3-N-dimethyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide);bis(2,2,2-trifluoroacetate)?
The InChIKey is CBLHHIFTNRQEOX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C20H18N4O2.2C2HF3O2.2CH2Cl2.2Ag/c2*1-23(17-6-10-21-11-7-17)19(25)15-4-3-5-16(14-15)20(26)24(2)18-8-12-22-13-9-18;2*3-2(4,5)1(6)7;2*2-1-3;;/h2*3-14H,1-2H3;2*(H,6,7);2*1H2;;/q;;;;;;2*+1/p-2.
What are the key properties of disilver;bis(dichloromethane);bis(1-N,3-N-dimethyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide);bis(2,2,2-trifluoroacetate)?
disilver;bis(dichloromethane);bis(1-N,3-N-dimethyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide);bis(2,2,2-trifluoroacetate) has a molecular weight of 1304.41 g/mol, XLogP of 7.49, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(dichloromethane);bis(1-N,3-N-dimethyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide);bis(2,2,2-trifluoroacetate) is sourced from PubChem (CID 139129295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).