tetrapotassium;5-[5-amino-4-[[5-[2-[[5-[[5-amino-3-tert-butyl-1-(3,5-dicarboxylatophenyl)pyrazol-4-yl]diazenyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethylsulfanyl]-1,3,4-thiadiazol-2-yl]diazenyl]-3-tert-butylpyrazol-1-yl]benzene-1,3-dicarboxylate

C36H32K4N14O8S4 — CID 136753835

About tetrapotassium;5-[5-amino-4-[[5-[2-[[5-[[5-amino-3-tert-butyl-1-(3,5-dicarboxylatophenyl)pyrazol-4-yl]diazenyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethylsulfanyl]-1,3,4-thiadiazol-2-yl]diazenyl]-3-tert-butylpyrazol-1-yl]benzene-1,3-dicarboxylate

tetrapotassium;5-[5-amino-4-[[5-[2-[[5-[[5-amino-3-tert-butyl-1-(3,5-dicarboxylatophenyl)pyrazol-4-yl]diazenyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethylsulfanyl]-1,3,4-thiadiazol-2-yl]diazenyl]-3-tert-butylpyrazol-1-yl]benzene-1,3-dicarboxylate (PubChem CID 136753835) has the molecular formula C36H32K4N14O8S4 and a molecular weight of 1073.40 g/mol. Its IUPAC name is tetrapotassium;5-[5-amino-4-[[5-[2-[[5-[[5-amino-3-tert-butyl-1-(3,5-dicarboxylatophenyl)pyrazol-4-yl]diazenyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethylsulfanyl]-1,3,4-thiadiazol-2-yl]diazenyl]-3-tert-butylpyrazol-1-yl]benzene-1,3-dicarboxylate.

Molecular Properties

• Compound Name: tetrapotassium;5-[5-amino-4-[[5-[2-[[5-[[5-amino-3-tert-butyl-1-(3,5-dicarboxylatophenyl)pyrazol-4-yl]diazenyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethylsulfanyl]-1,3,4-thiadiazol-2-yl]diazenyl]-3-tert-butylpyrazol-1-yl]benzene-1,3-dicarboxylate
• PubChem CID: 136753835
• Molecular Formula: C36H32K4N14O8S4
• Molecular Weight: 1073.40 g/mol
• Exact Mass: 1072.00
• IUPAC Name: tetrapotassium;5-[5-amino-4-[[5-[2-[[5-[[5-amino-3-tert-butyl-1-(3,5-dicarboxylatophenyl)pyrazol-4-yl]diazenyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethylsulfanyl]-1,3,4-thiadiazol-2-yl]diazenyl]-3-tert-butylpyrazol-1-yl]benzene-1,3-dicarboxylate
• SMILES: CC(C)(C)c1nn(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(N)c1/N=N/c1nnc(SCCSc2nnc(/N=N/c3c(C(C)(C)C)nn(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)c3N)s2)s1.[K+].[K+].[K+].[K+]
• InChI: InChI=1S/C36H36N14O8S4.4K/c1-35(2,3)23-21(25(37)49(47-23)19-11-15(27(51)52)9-16(12-19)28(53)54)39-41-31-43-45-33(61-31)59-7-8-60-34-46-44-32(62-34)42-40-22-24(36(4,5)6)48-50(26(22)38)20-13-17(29(55)56)10-18(14-20)30(57)58;;;;/h9-14H,7-8,37-38H2,1-6H3,(H,51,52)(H,53,54)(H,55,56)(H,57,58);;;;/q;4*+1/p-4/b41-39+,42-40+
• InChIKey: KCOFIWQJEZIPIH-PTBAIPEQSA-J
• XLogP: -9.29
• TPSA: 349.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1073.40
LogP ≤ 5	-9.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrapotassium;5-[5-amino-4-[[5-[2-[[5-[[5-amino-3-tert-butyl-1-(3,5-dicarboxylatophenyl)pyrazol-4-yl]diazenyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethylsulfanyl]-1,3,4-thiadiazol-2-yl]diazenyl]-3-tert-butylpyrazol-1-yl]benzene-1,3-dicarboxylate?

The IUPAC name of tetrapotassium;5-[5-amino-4-[[5-[2-[[5-[[5-amino-3-tert-butyl-1-(3,5-dicarboxylatophenyl)pyrazol-4-yl]diazenyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethylsulfanyl]-1,3,4-thiadiazol-2-yl]diazenyl]-3-tert-butylpyrazol-1-yl]benzene-1,3-dicarboxylate (CID 136753835) is tetrapotassium;5-[5-amino-4-[[5-[2-[[5-[[5-amino-3-tert-butyl-1-(3,5-dicarboxylatophenyl)pyrazol-4-yl]diazenyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethylsulfanyl]-1,3,4-thiadiazol-2-yl]diazenyl]-3-tert-butylpyrazol-1-yl]benzene-1,3-dicarboxylate.

What is the SMILES notation for tetrapotassium;5-[5-amino-4-[[5-[2-[[5-[[5-amino-3-tert-butyl-1-(3,5-dicarboxylatophenyl)pyrazol-4-yl]diazenyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethylsulfanyl]-1,3,4-thiadiazol-2-yl]diazenyl]-3-tert-butylpyrazol-1-yl]benzene-1,3-dicarboxylate?

The canonical SMILES for tetrapotassium;5-[5-amino-4-[[5-[2-[[5-[[5-amino-3-tert-butyl-1-(3,5-dicarboxylatophenyl)pyrazol-4-yl]diazenyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethylsulfanyl]-1,3,4-thiadiazol-2-yl]diazenyl]-3-tert-butylpyrazol-1-yl]benzene-1,3-dicarboxylate is CC(C)(C)c1nn(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(N)c1/N=N/c1nnc(SCCSc2nnc(/N=N/c3c(C(C)(C)C)nn(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)c3N)s2)s1.[K+].[K+].[K+].[K+].

What is the InChIKey of tetrapotassium;5-[5-amino-4-[[5-[2-[[5-[[5-amino-3-tert-butyl-1-(3,5-dicarboxylatophenyl)pyrazol-4-yl]diazenyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethylsulfanyl]-1,3,4-thiadiazol-2-yl]diazenyl]-3-tert-butylpyrazol-1-yl]benzene-1,3-dicarboxylate?

The InChIKey is KCOFIWQJEZIPIH-PTBAIPEQSA-J. The full InChI is InChI=1S/C36H36N14O8S4.4K/c1-35(2,3)23-21(25(37)49(47-23)19-11-15(27(51)52)9-16(12-19)28(53)54)39-41-31-43-45-33(61-31)59-7-8-60-34-46-44-32(62-34)42-40-22-24(36(4,5)6)48-50(26(22)38)20-13-17(29(55)56)10-18(14-20)30(57)58;;;;/h9-14H,7-8,37-38H2,1-6H3,(H,51,52)(H,53,54)(H,55,56)(H,57,58);;;;/q;4*+1/p-4/b41-39+,42-40+;;;;.

What are the key properties of tetrapotassium;5-[5-amino-4-[[5-[2-[[5-[[5-amino-3-tert-butyl-1-(3,5-dicarboxylatophenyl)pyrazol-4-yl]diazenyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethylsulfanyl]-1,3,4-thiadiazol-2-yl]diazenyl]-3-tert-butylpyrazol-1-yl]benzene-1,3-dicarboxylate?

tetrapotassium;5-[5-amino-4-[[5-[2-[[5-[[5-amino-3-tert-butyl-1-(3,5-dicarboxylatophenyl)pyrazol-4-yl]diazenyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethylsulfanyl]-1,3,4-thiadiazol-2-yl]diazenyl]-3-tert-butylpyrazol-1-yl]benzene-1,3-dicarboxylate has a molecular weight of 1073.40 g/mol, XLogP of -9.29, 15 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tetrapotassium;5-[5-amino-4-[[5-[2-[[5-[[5-amino-3-tert-butyl-1-(3,5-dicarboxylatophenyl)pyrazol-4-yl]diazenyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethylsulfanyl]-1,3,4-thiadiazol-2-yl]diazenyl]-3-tert-butylpyrazol-1-yl]benzene-1,3-dicarboxylate is sourced from PubChem (CID 136753835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).