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

C90H68F12N12O19S51 — CID 157458292

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;bis(methyl 6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate);6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;bis(pyridine-2,6-dicarboxylic acid);bis(sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane);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
SMILESCOC(=O)c1cccc(C(=O)Nc2cc(C)cc(C(F)(F)F)c2)n1.COC(=O)c1cccc(C(=O)Nc2cc(C)cc(C(F)(F)F)c2)n1.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.O=C(O)c1cccc(C(=O)O)n1.O=C(O)c1cccc(C(=O)O)n1.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=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/C29H21F3N4O2.2C16H13F3N2O3.C15H11F3N2O3.2C7H5NO4.S14.S13.2S12/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;2*1-9-6-10(16(17,18)19)8-11(7-9)20-14(22)12-4-3-5-13(21-12)15(23)24-2;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;2*9-6(10)4-2-1-3-5(8-4)7(11)12;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;2*1-3-5-7-9-11-12-10-8-6-4-2/h2-15H,17H2,1H3,(H,34,37)(H,35,38);2*3-8H,1-2H3,(H,20,22);2-7H,1H3,(H,19,21)(H,22,23);2*1-3H,(H,9,10)(H,11,12);;;;
InChIKeyBTPVUFQUOJJUJH-UHFFFAOYSA-N
MW3484.99 g/mol
LogP17.22
Rot. Bonds19

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;bis(methyl 6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate);6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;bis(pyridine-2,6-dicarboxylic acid);bis(sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane);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;bis(methyl 6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate);6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;bis(pyridine-2,6-dicarboxylic acid);bis(sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane);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 157458292) has the molecular formula C90H68F12N12O19S51 and a molecular weight of 3484.99 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;bis(methyl 6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate);6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;bis(pyridine-2,6-dicarboxylic acid);bis(sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane);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;bis(methyl 6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate);6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;bis(pyridine-2,6-dicarboxylic acid);bis(sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane);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 CID157458292
Molecular FormulaC90H68F12N12O19S51
Molecular Weight3484.99 g/mol
Exact Mass3479.03
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;bis(methyl 6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate);6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;bis(pyridine-2,6-dicarboxylic acid);bis(sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane);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
SMILESCOC(=O)c1cccc(C(=O)Nc2cc(C)cc(C(F)(F)F)c2)n1.COC(=O)c1cccc(C(=O)Nc2cc(C)cc(C(F)(F)F)c2)n1.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.O=C(O)c1cccc(C(=O)O)n1.O=C(O)c1cccc(C(=O)O)n1.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=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/C29H21F3N4O2.2C16H13F3N2O3.C15H11F3N2O3.2C7H5NO4.S14.S13.2S12/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;2*1-9-6-10(16(17,18)19)8-11(7-9)20-14(22)12-4-3-5-13(21-12)15(23)24-2;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;2*9-6(10)4-2-1-3-5(8-4)7(11)12;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;2*1-3-5-7-9-11-12-10-8-6-4-2/h2-15H,17H2,1H3,(H,34,37)(H,35,38);2*3-8H,1-2H3,(H,20,22);2-7H,1H3,(H,19,21)(H,22,23);2*1-3H,(H,9,10)(H,11,12);;;;
InChIKeyBTPVUFQUOJJUJH-UHFFFAOYSA-N
XLogP17.22
TPSA485.73 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds19
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003484.99
LogP ≤ 517.22
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate
CID 60541422
methyl 4-[[6-(benzylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109097311
6-N-(3,5-dimethylphenyl)-2-N-(2-phenylethyl)pyridine-2,6-dicarboxamide
CID 109098441
6-N-(3-fluorophenyl)-2-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097396
6-N-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;fluoromethane
CID 169268099
methyl 3-[[2-(2-cyanophenyl)benzoyl]amino]benzoate
CID 27846126
2-N-[3,5-bis(trifluoromethyl)phenyl]-6-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyridine-2,6-dicarboxamide
CID 122364413
6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093750
6-N-(2-cyanophenyl)-2-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095810
2-N-[(2-chlorophenyl)methyl]-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109097915
6-[[3-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 61408010
2-N-benzyl-6-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109097257

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;bis(methyl 6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate);6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;bis(pyridine-2,6-dicarboxylic acid);bis(sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane);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;bis(methyl 6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate);6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;bis(pyridine-2,6-dicarboxylic acid);bis(sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane);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 157458292) 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;bis(methyl 6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate);6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;bis(pyridine-2,6-dicarboxylic acid);bis(sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane);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;bis(methyl 6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate);6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;bis(pyridine-2,6-dicarboxylic acid);bis(sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane);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;bis(methyl 6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate);6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;bis(pyridine-2,6-dicarboxylic acid);bis(sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane);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 COC(=O)c1cccc(C(=O)Nc2cc(C)cc(C(F)(F)F)c2)n1.COC(=O)c1cccc(C(=O)Nc2cc(C)cc(C(F)(F)F)c2)n1.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.O=C(O)c1cccc(C(=O)O)n1.O=C(O)c1cccc(C(=O)O)n1.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=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;bis(methyl 6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate);6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;bis(pyridine-2,6-dicarboxylic acid);bis(sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane);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 BTPVUFQUOJJUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F3N4O2.2C16H13F3N2O3.C15H11F3N2O3.2C7H5NO4.S14.S13.2S12/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;2*1-9-6-10(16(17,18)19)8-11(7-9)20-14(22)12-4-3-5-13(21-12)15(23)24-2;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;2*9-6(10)4-2-1-3-5(8-4)7(11)12;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;2*1-3-5-7-9-11-12-10-8-6-4-2/h2-15H,17H2,1H3,(H,34,37)(H,35,38);2*3-8H,1-2H3,(H,20,22);2-7H,1H3,(H,19,21)(H,22,23);2*1-3H,(H,9,10)(H,11,12);;;;.
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;bis(methyl 6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate);6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;bis(pyridine-2,6-dicarboxylic acid);bis(sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane);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;bis(methyl 6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate);6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;bis(pyridine-2,6-dicarboxylic acid);bis(sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane);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 3484.99 g/mol, XLogP of 17.22, 19 rotatable bonds, 10 hydrogen bond donors, and 29 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;bis(methyl 6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate);6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;bis(pyridine-2,6-dicarboxylic acid);bis(sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane);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 157458292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).