potassium;disodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-amino-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidine-4-carbonitrile;N-[4-cyano-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidin-4-yl]-3-(2-phenylphenyl)benzamide;1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-4-[[3-(2-phenylphenyl)benzoyl]amino]piperidine-4-carboxamide;8-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-2-[3-(2-phenylphenyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethanol;2-methylpropan-2-olate;3-(2-phenylphenyl)benzoic acid;cyanate

C151H166KN23Na2O18S4 — CID 160650460

About potassium;disodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-amino-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidine-4-carbonitrile;N-[4-cyano-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidin-4-yl]-3-(2-phenylphenyl)benzamide;1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-4-[[3-(2-phenylphenyl)benzoyl]amino]piperidine-4-carboxamide;8-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-2-[3-(2-phenylphenyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethanol;2-methylpropan-2-olate;3-(2-phenylphenyl)benzoic acid;cyanate

potassium;disodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-amino-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidine-4-carbonitrile;N-[4-cyano-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidin-4-yl]-3-(2-phenylphenyl)benzamide;1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-4-[[3-(2-phenylphenyl)benzoyl]amino]piperidine-4-carboxamide;8-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-2-[3-(2-phenylphenyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethanol;2-methylpropan-2-olate;3-(2-phenylphenyl)benzoic acid;cyanate (PubChem CID 160650460) has the molecular formula C151H166KN23Na2O18S4 and a molecular weight of 2804.48 g/mol. Its IUPAC name is potassium;disodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-amino-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidine-4-carbonitrile;N-[4-cyano-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidin-4-yl]-3-(2-phenylphenyl)benzamide;1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-4-[[3-(2-phenylphenyl)benzoyl]amino]piperidine-4-carboxamide;8-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-2-[3-(2-phenylphenyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethanol;2-methylpropan-2-olate;3-(2-phenylphenyl)benzoic acid;cyanate.

Molecular Properties

• Compound Name: potassium;disodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-amino-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidine-4-carbonitrile;N-[4-cyano-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidin-4-yl]-3-(2-phenylphenyl)benzamide;1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-4-[[3-(2-phenylphenyl)benzoyl]amino]piperidine-4-carboxamide;8-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-2-[3-(2-phenylphenyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethanol;2-methylpropan-2-olate;3-(2-phenylphenyl)benzoic acid;cyanate
• PubChem CID: 160650460
• Molecular Formula: C151H166KN23Na2O18S4
• Molecular Weight: 2804.48 g/mol
• Exact Mass: 2802.11
• IUPAC Name: potassium;disodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-amino-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidine-4-carbonitrile;N-[4-cyano-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidin-4-yl]-3-(2-phenylphenyl)benzamide;1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-4-[[3-(2-phenylphenyl)benzoyl]amino]piperidine-4-carboxamide;8-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-2-[3-(2-phenylphenyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethanol;2-methylpropan-2-olate;3-(2-phenylphenyl)benzoic acid;cyanate
• SMILES: CC(C)(C)[O-].CCO.CNc1cc(C)c(/C=C/S(=O)(=O)N2CCC(C#N)(NC(=O)c3cccc(-c4ccccc4-c4ccccc4)c3)CC2)c(C)c1.CNc1cc(C)c(/C=C/S(=O)(=O)N2CCC(N)(C#N)CC2)c(C)c1.CNc1cc(C)c(/C=C/S(=O)(=O)N2CCC(NC(=O)c3cccc(-c4ccccc4-c4ccccc4)c3)(C(N)=O)CC2)c(C)c1.CNc1cc(C)c(/C=C/S(=O)(=O)N2CCC3(CC2)N=C(c2cccc(-c4ccccc4-c4ccccc4)c2)NC3=O)c(C)c1.N#C[O-].N/N=N/N=N/[N-]O.O=C(O)c1cccc(-c2ccccc2-c2ccccc2)c1.[K+].[Na+].[Na+]
• InChI: InChI=1S/C36H38N4O4S.2C36H36N4O3S.C19H14O2.C17H24N4O2S.C4H9O.C2H6O.CHNO.K.H3N6O.2Na/c1-25-22-30(38-3)23-26(2)31(25)16-21-45(43,44)40-19-17-36(18-20-40,35(37)42)39-34(41)29-13-9-12-28(24-29)33-15-8-7-14-32(33)27-10-5-4-6-11-27;1-25-22-30(37-3)23-26(2)31(25)16-21-44(42,43)40-19-17-36(18-20-40)35(41)38-34(39-36)29-13-9-12-28(24-29)33-15-8-7-14-32(33)27-10-5-4-6-11-27;1-26-22-31(38-3)23-27(2)32(26)16-21-44(42,43)40-19-17-36(25-37,18-20-40)39-35(41)30-13-9-12-29(24-30)34-15-8-7-14-33(34)28-10-5-4-6-11-28;20-19(21)16-10-6-9-15(13-16)18-12-5-4-11-17(18)14-7-2-1-3-8-14;1-13-10-15(20-3)11-14(2)16(13)4-9-24(22,23)21-7-5-17(19,12-18)6-8-21;1-4(2,3)5;1-2-3;2-1-3;;1-2-3-4-5-6-7;;/h4-16,21-24,38H,17-20H2,1-3H3,(H2,37,42)(H,39,41);4-16,21-24,37H,17-20H2,1-3H3,(H,38,39,41);4-16,21-24,38H,17-20H2,1-3H3,(H,39,41);1-13H,(H,20,21);4,9-11,20H,5-8,19H2,1-3H3;1-3H3;3H,2H2,1H3;3H;;(H3-,1,2,3,4,5,6,7);;/q;;;;;-1;;;+1;-1;2*+1/p-1/b3*21-16+;;9-4+
• InChIKey: RKIQRWFDAULXNJ-MLEGSGOXSA-M
• XLogP: 15.91
• TPSA: 651.22 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 28
• Rotatable Bonds: 33
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2804.48
LogP ≤ 5	15.91
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;disodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-amino-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidine-4-carbonitrile;N-[4-cyano-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidin-4-yl]-3-(2-phenylphenyl)benzamide;1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-4-[[3-(2-phenylphenyl)benzoyl]amino]piperidine-4-carboxamide;8-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-2-[3-(2-phenylphenyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethanol;2-methylpropan-2-olate;3-(2-phenylphenyl)benzoic acid;cyanate?

The IUPAC name of potassium;disodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-amino-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidine-4-carbonitrile;N-[4-cyano-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidin-4-yl]-3-(2-phenylphenyl)benzamide;1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-4-[[3-(2-phenylphenyl)benzoyl]amino]piperidine-4-carboxamide;8-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-2-[3-(2-phenylphenyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethanol;2-methylpropan-2-olate;3-(2-phenylphenyl)benzoic acid;cyanate (CID 160650460) is potassium;disodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-amino-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidine-4-carbonitrile;N-[4-cyano-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidin-4-yl]-3-(2-phenylphenyl)benzamide;1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-4-[[3-(2-phenylphenyl)benzoyl]amino]piperidine-4-carboxamide;8-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-2-[3-(2-phenylphenyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethanol;2-methylpropan-2-olate;3-(2-phenylphenyl)benzoic acid;cyanate.

What is the SMILES notation for potassium;disodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-amino-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidine-4-carbonitrile;N-[4-cyano-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidin-4-yl]-3-(2-phenylphenyl)benzamide;1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-4-[[3-(2-phenylphenyl)benzoyl]amino]piperidine-4-carboxamide;8-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-2-[3-(2-phenylphenyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethanol;2-methylpropan-2-olate;3-(2-phenylphenyl)benzoic acid;cyanate?

The canonical SMILES for potassium;disodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-amino-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidine-4-carbonitrile;N-[4-cyano-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidin-4-yl]-3-(2-phenylphenyl)benzamide;1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-4-[[3-(2-phenylphenyl)benzoyl]amino]piperidine-4-carboxamide;8-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-2-[3-(2-phenylphenyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethanol;2-methylpropan-2-olate;3-(2-phenylphenyl)benzoic acid;cyanate is CC(C)(C)[O-].CCO.CNc1cc(C)c(/C=C/S(=O)(=O)N2CCC(C#N)(NC(=O)c3cccc(-c4ccccc4-c4ccccc4)c3)CC2)c(C)c1.CNc1cc(C)c(/C=C/S(=O)(=O)N2CCC(N)(C#N)CC2)c(C)c1.CNc1cc(C)c(/C=C/S(=O)(=O)N2CCC(NC(=O)c3cccc(-c4ccccc4-c4ccccc4)c3)(C(N)=O)CC2)c(C)c1.CNc1cc(C)c(/C=C/S(=O)(=O)N2CCC3(CC2)N=C(c2cccc(-c4ccccc4-c4ccccc4)c2)NC3=O)c(C)c1.N#C[O-].N/N=N/N=N/[N-]O.O=C(O)c1cccc(-c2ccccc2-c2ccccc2)c1.[K+].[Na+].[Na+].

What is the InChIKey of potassium;disodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-amino-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidine-4-carbonitrile;N-[4-cyano-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidin-4-yl]-3-(2-phenylphenyl)benzamide;1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-4-[[3-(2-phenylphenyl)benzoyl]amino]piperidine-4-carboxamide;8-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-2-[3-(2-phenylphenyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethanol;2-methylpropan-2-olate;3-(2-phenylphenyl)benzoic acid;cyanate?

The InChIKey is RKIQRWFDAULXNJ-MLEGSGOXSA-M. The full InChI is InChI=1S/C36H38N4O4S.2C36H36N4O3S.C19H14O2.C17H24N4O2S.C4H9O.C2H6O.CHNO.K.H3N6O.2Na/c1-25-22-30(38-3)23-26(2)31(25)16-21-45(43,44)40-19-17-36(18-20-40,35(37)42)39-34(41)29-13-9-12-28(24-29)33-15-8-7-14-32(33)27-10-5-4-6-11-27;1-25-22-30(37-3)23-26(2)31(25)16-21-44(42,43)40-19-17-36(18-20-40)35(41)38-34(39-36)29-13-9-12-28(24-29)33-15-8-7-14-32(33)27-10-5-4-6-11-27;1-26-22-31(38-3)23-27(2)32(26)16-21-44(42,43)40-19-17-36(25-37,18-20-40)39-35(41)30-13-9-12-29(24-30)34-15-8-7-14-33(34)28-10-5-4-6-11-28;20-19(21)16-10-6-9-15(13-16)18-12-5-4-11-17(18)14-7-2-1-3-8-14;1-13-10-15(20-3)11-14(2)16(13)4-9-24(22,23)21-7-5-17(19,12-18)6-8-21;1-4(2,3)5;1-2-3;2-1-3;;1-2-3-4-5-6-7;;/h4-16,21-24,38H,17-20H2,1-3H3,(H2,37,42)(H,39,41);4-16,21-24,37H,17-20H2,1-3H3,(H,38,39,41);4-16,21-24,38H,17-20H2,1-3H3,(H,39,41);1-13H,(H,20,21);4,9-11,20H,5-8,19H2,1-3H3;1-3H3;3H,2H2,1H3;3H;;(H3-,1,2,3,4,5,6,7);;/q;;;;;-1;;;+1;-1;2*+1/p-1/b3*21-16+;;9-4+;;;;;;;.

What are the key properties of potassium;disodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-amino-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidine-4-carbonitrile;N-[4-cyano-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidin-4-yl]-3-(2-phenylphenyl)benzamide;1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-4-[[3-(2-phenylphenyl)benzoyl]amino]piperidine-4-carboxamide;8-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-2-[3-(2-phenylphenyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethanol;2-methylpropan-2-olate;3-(2-phenylphenyl)benzoic acid;cyanate?

potassium;disodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-amino-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidine-4-carbonitrile;N-[4-cyano-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidin-4-yl]-3-(2-phenylphenyl)benzamide;1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-4-[[3-(2-phenylphenyl)benzoyl]amino]piperidine-4-carboxamide;8-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-2-[3-(2-phenylphenyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethanol;2-methylpropan-2-olate;3-(2-phenylphenyl)benzoic acid;cyanate has a molecular weight of 2804.48 g/mol, XLogP of 15.91, 33 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;disodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-amino-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidine-4-carbonitrile;N-[4-cyano-1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonylpiperidin-4-yl]-3-(2-phenylphenyl)benzamide;1-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-4-[[3-(2-phenylphenyl)benzoyl]amino]piperidine-4-carboxamide;8-[(E)-2-[2,6-dimethyl-4-(methylamino)phenyl]ethenyl]sulfonyl-2-[3-(2-phenylphenyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethanol;2-methylpropan-2-olate;3-(2-phenylphenyl)benzoic acid;cyanate is sourced from PubChem (CID 160650460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).