bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-N-[[2-(2-cyanophenyl)phenyl]methyl]-6-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

C44H32F6N6O5S27 — CID 160833534

IUPACbis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-N-[[2-(2-cyanophenyl)phenyl]methyl]-6-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
SMILESCc1cc(NC(=O)c2cccc(C(=O)NCc3ccccc3-c3ccccc3C#N)n2)cc(C(F)(F)F)c1.Cc1cc(NC(=O)c2cccc(C(=O)O)n2)cc(C(F)(F)F)c1.S=S=S=S=S=S=S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S=S=S=S=S=S
InChIInChI=1S/C29H21F3N4O2.C15H11F3N2O3.S14.S13/c1-18-13-21(29(30,31)32)15-22(14-18)35-28(38)26-12-6-11-25(36-26)27(37)34-17-20-8-3-5-10-24(20)23-9-4-2-7-19(23)16-33;1-8-5-9(15(16,17)18)7-10(6-8)19-13(21)11-3-2-4-12(20-11)14(22)23;1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3-5-7-9-11-13-12-10-8-6-4-2/h2-15H,17H2,1H3,(H,34,37)(H,35,38);2-7H,1H3,(H,19,21)(H,22,23);;
InChIKeySHCQXPUOZBIMMT-UHFFFAOYSA-N
MW1704.57 g/mol
LogP9.42
Rot. Bonds9

About bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-N-[[2-(2-cyanophenyl)phenyl]methyl]-6-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-N-[[2-(2-cyanophenyl)phenyl]methyl]-6-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (PubChem CID 160833534) has the molecular formula C44H32F6N6O5S27 and a molecular weight of 1704.57 g/mol. Its IUPAC name is bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-N-[[2-(2-cyanophenyl)phenyl]methyl]-6-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.

Molecular Properties

Compound Namebis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-N-[[2-(2-cyanophenyl)phenyl]methyl]-6-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
PubChem CID160833534
Molecular FormulaC44H32F6N6O5S27
Molecular Weight1704.57 g/mol
Exact Mass1701.48
IUPAC Namebis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-N-[[2-(2-cyanophenyl)phenyl]methyl]-6-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
SMILESCc1cc(NC(=O)c2cccc(C(=O)NCc3ccccc3-c3ccccc3C#N)n2)cc(C(F)(F)F)c1.Cc1cc(NC(=O)c2cccc(C(=O)O)n2)cc(C(F)(F)F)c1.S=S=S=S=S=S=S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S=S=S=S=S=S
InChIInChI=1S/C29H21F3N4O2.C15H11F3N2O3.S14.S13/c1-18-13-21(29(30,31)32)15-22(14-18)35-28(38)26-12-6-11-25(36-26)27(37)34-17-20-8-3-5-10-24(20)23-9-4-2-7-19(23)16-33;1-8-5-9(15(16,17)18)7-10(6-8)19-13(21)11-3-2-4-12(20-11)14(22)23;1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3-5-7-9-11-13-12-10-8-6-4-2/h2-15H,17H2,1H3,(H,34,37)(H,35,38);2-7H,1H3,(H,19,21)(H,22,23);;
InChIKeySHCQXPUOZBIMMT-UHFFFAOYSA-N
XLogP9.42
TPSA174.17 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001704.57
LogP ≤ 59.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-N-[[2-(2-cyanophenyl)phenyl]methyl]-6-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane with MolForge

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Related Compounds

Tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid);samarium
CID 139213299
Tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid);europium
CID 139213314
Tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid);terbium
CID 139213329
Dysprosium;tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid)
CID 139213344
4-[3-[amino-[(Z)-2-amino-2-[6-[(Z)-1-amino-2-[N-amino-3-[4-carboxy-3-(trifluoromethyl)phenyl]anilino]ethenyl]-4-(ethylcarbamoyl)-2-pyridinyl]ethenyl]amino]phenyl]-2-(trifluoromethyl)benzoic acid
CID 155748433
CID 157458292
CID 157458292
Bis[[[[(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfane;methyl 6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate;6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;sulfanylidene-[[[[[[[[(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfane
CID 159166790
4-[5-[amino-[(Z)-2-amino-2-[6-[(Z)-1-amino-2-[3-[4-carboxy-3-(trifluoromethyl)phenyl]anilino]ethenyl]-4-(ethylcarbamoyl)-2-pyridinyl]ethenyl]amino]cyclohexa-1,5-dien-1-yl]-2-(trifluoromethyl)benzoic acid
CID 177154771
6-((1-(Naphthalen-2-yl)ethyl)carbamoyl)picolinic acid
CID 139044290
6-[[(1S)-1-naphthalen-2-ylethyl]carbamoyl]pyridine-2-carboxylic acid
CID 139044291
Tris(4-(4-acetamidophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);samarium
CID 139213294
Tris(6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid);samarium
CID 139213305

Frequently Asked Questions

What is the IUPAC name of bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-N-[[2-(2-cyanophenyl)phenyl]methyl]-6-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The IUPAC name of bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-N-[[2-(2-cyanophenyl)phenyl]methyl]-6-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (CID 160833534) is bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-N-[[2-(2-cyanophenyl)phenyl]methyl]-6-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.
What is the SMILES notation for bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-N-[[2-(2-cyanophenyl)phenyl]methyl]-6-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The canonical SMILES for bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-N-[[2-(2-cyanophenyl)phenyl]methyl]-6-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is Cc1cc(NC(=O)c2cccc(C(=O)NCc3ccccc3-c3ccccc3C#N)n2)cc(C(F)(F)F)c1.Cc1cc(NC(=O)c2cccc(C(=O)O)n2)cc(C(F)(F)F)c1.S=S=S=S=S=S=S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S=S=S=S=S=S.
What is the InChIKey of bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-N-[[2-(2-cyanophenyl)phenyl]methyl]-6-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The InChIKey is SHCQXPUOZBIMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F3N4O2.C15H11F3N2O3.S14.S13/c1-18-13-21(29(30,31)32)15-22(14-18)35-28(38)26-12-6-11-25(36-26)27(37)34-17-20-8-3-5-10-24(20)23-9-4-2-7-19(23)16-33;1-8-5-9(15(16,17)18)7-10(6-8)19-13(21)11-3-2-4-12(20-11)14(22)23;1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3-5-7-9-11-13-12-10-8-6-4-2/h2-15H,17H2,1H3,(H,34,37)(H,35,38);2-7H,1H3,(H,19,21)(H,22,23);;.
What are the key properties of bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-N-[[2-(2-cyanophenyl)phenyl]methyl]-6-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-N-[[2-(2-cyanophenyl)phenyl]methyl]-6-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane has a molecular weight of 1704.57 g/mol, XLogP of 9.42, 9 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-N-[[2-(2-cyanophenyl)phenyl]methyl]-6-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is sourced from PubChem (CID 160833534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).