tetrapotassium;5-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate

C32H36K4N12O14S4 — CID 159125099

About tetrapotassium;5-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate

tetrapotassium;5-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate (PubChem CID 159125099) has the molecular formula C32H36K4N12O14S4 and a molecular weight of 1097.37 g/mol. Its IUPAC name is tetrapotassium;5-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate.

Molecular Properties

• Compound Name: tetrapotassium;5-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
• PubChem CID: 159125099
• Molecular Formula: C32H36K4N12O14S4
• Molecular Weight: 1097.37 g/mol
• Exact Mass: 1095.99
• IUPAC Name: tetrapotassium;5-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
• SMILES: O=S(=O)([O-])CCNc1nc(Nc2ccc(C=Cc3ccc(Nc4nc(NCCS(=O)(=O)[O-])nc(N5CCOCC5)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)nc(N2CCOCC2)n1.[K+].[K+].[K+].[K+]
• InChI: InChI=1S/C32H40N12O14S4.4K/c45-59(46,47)17-7-33-27-37-29(41-31(39-27)43-9-13-57-14-10-43)35-23-5-3-21(25(19-23)61(51,52)53)1-2-22-4-6-24(20-26(22)62(54,55)56)36-30-38-28(34-8-18-60(48,49)50)40-32(42-30)44-11-15-58-16-12-44;;;;/h1-6,19-20H,7-18H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H2,33,35,37,39,41)(H2,34,36,38,40,42);;;;/q;4*+1/p-4
• InChIKey: KGEGUENLFPPVSH-UHFFFAOYSA-J
• XLogP: -12.87
• TPSA: 379.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1097.37
LogP ≤ 5	-12.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrapotassium;5-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate?

The IUPAC name of tetrapotassium;5-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate (CID 159125099) is tetrapotassium;5-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate.

What is the SMILES notation for tetrapotassium;5-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate?

The canonical SMILES for tetrapotassium;5-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate is O=S(=O)([O-])CCNc1nc(Nc2ccc(C=Cc3ccc(Nc4nc(NCCS(=O)(=O)[O-])nc(N5CCOCC5)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)nc(N2CCOCC2)n1.[K+].[K+].[K+].[K+].

What is the InChIKey of tetrapotassium;5-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate?

The InChIKey is KGEGUENLFPPVSH-UHFFFAOYSA-J. The full InChI is InChI=1S/C32H40N12O14S4.4K/c45-59(46,47)17-7-33-27-37-29(41-31(39-27)43-9-13-57-14-10-43)35-23-5-3-21(25(19-23)61(51,52)53)1-2-22-4-6-24(20-26(22)62(54,55)56)36-30-38-28(34-8-18-60(48,49)50)40-32(42-30)44-11-15-58-16-12-44;;;;/h1-6,19-20H,7-18H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H2,33,35,37,39,41)(H2,34,36,38,40,42);;;;/q;4*+1/p-4.

What are the key properties of tetrapotassium;5-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate?

tetrapotassium;5-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate has a molecular weight of 1097.37 g/mol, XLogP of -12.87, 18 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tetrapotassium;5-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-morpholin-4-yl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate is sourced from PubChem (CID 159125099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).