dipotassium;(4Z)-4-[(3-butylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butylbenzo[g][1,3]benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(3-butyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(1-butylquinolin-1-ium-4-yl)methylidene]-2-[(E)-(1-butylquinolin-4-ylidene)methyl]-3-oxocyclobuten-1-olate;(2E)-1,3,3-trimethyl-2-[[(3Z)-2-oxido-4-oxo-3-[(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)methylidene]cyclobuten-1-yl]methylidene]indole-5-sulfonate

C124H118K2N8O14S6 — CID 159114189

About dipotassium;(4Z)-4-[(3-butylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butylbenzo[g][1,3]benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(3-butyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(1-butylquinolin-1-ium-4-yl)methylidene]-2-[(E)-(1-butylquinolin-4-ylidene)methyl]-3-oxocyclobuten-1-olate;(2E)-1,3,3-trimethyl-2-[[(3Z)-2-oxido-4-oxo-3-[(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)methylidene]cyclobuten-1-yl]methylidene]indole-5-sulfonate

dipotassium;(4Z)-4-[(3-butylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butylbenzo[g][1,3]benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(3-butyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(1-butylquinolin-1-ium-4-yl)methylidene]-2-[(E)-(1-butylquinolin-4-ylidene)methyl]-3-oxocyclobuten-1-olate;(2E)-1,3,3-trimethyl-2-[[(3Z)-2-oxido-4-oxo-3-[(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)methylidene]cyclobuten-1-yl]methylidene]indole-5-sulfonate (PubChem CID 159114189) has the molecular formula C124H118K2N8O14S6 and a molecular weight of 2214.95 g/mol. Its IUPAC name is dipotassium;(4Z)-4-[(3-butylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butylbenzo[g][1,3]benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(3-butyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(1-butylquinolin-1-ium-4-yl)methylidene]-2-[(E)-(1-butylquinolin-4-ylidene)methyl]-3-oxocyclobuten-1-olate;(2E)-1,3,3-trimethyl-2-[[(3Z)-2-oxido-4-oxo-3-[(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)methylidene]cyclobuten-1-yl]methylidene]indole-5-sulfonate.

Molecular Properties

• Compound Name: dipotassium;(4Z)-4-[(3-butylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butylbenzo[g][1,3]benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(3-butyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(1-butylquinolin-1-ium-4-yl)methylidene]-2-[(E)-(1-butylquinolin-4-ylidene)methyl]-3-oxocyclobuten-1-olate;(2E)-1,3,3-trimethyl-2-[[(3Z)-2-oxido-4-oxo-3-[(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)methylidene]cyclobuten-1-yl]methylidene]indole-5-sulfonate
• PubChem CID: 159114189
• Molecular Formula: C124H118K2N8O14S6
• Molecular Weight: 2214.95 g/mol
• Exact Mass: 2212.64
• IUPAC Name: dipotassium;(4Z)-4-[(3-butylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butylbenzo[g][1,3]benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(3-butyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(1-butylquinolin-1-ium-4-yl)methylidene]-2-[(E)-(1-butylquinolin-4-ylidene)methyl]-3-oxocyclobuten-1-olate;(2E)-1,3,3-trimethyl-2-[[(3Z)-2-oxido-4-oxo-3-[(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)methylidene]cyclobuten-1-yl]methylidene]indole-5-sulfonate
• SMILES: CCCCN1/C(=C/C2=C([O-])/C(=C/c3sc4c5ccccc5ccc4[n+]3CCCC)C2=O)Sc2c1ccc1ccccc21.CCCCN1/C(=C/C2=C([O-])/C(=C/c3sc4ccccc4[n+]3CCCC)C2=O)Sc2ccccc21.CCCCN1C=C/C(=C\C2=C([O-])/C(=C/c3cc[n+](CCCC)c4ccccc34)C2=O)c2ccccc21.CN1/C(=C/C2=C([O-])/C(=C/C3=[N+](C)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)C2=O)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21.[K+].[K+]
• InChI: InChI=1S/C36H32N2O2S2.C32H32N2O2.C28H28N2O8S2.C28H28N2O2S2.2K/c1-3-5-19-37-29-17-15-23-11-7-9-13-25(23)35(29)41-31(37)21-27-33(39)28(34(27)40)22-32-38(20-6-4-2)30-18-16-24-12-8-10-14-26(24)36(30)42-32;1-3-5-17-33-19-15-23(25-11-7-9-13-29(25)33)21-27-31(35)28(32(27)36)22-24-16-20-34(18-6-4-2)30-14-10-8-12-26(24)30;1-27(2)19-11-15(39(33,34)35)7-9-21(19)29(5)23(27)13-17-25(31)18(26(17)32)14-24-28(3,4)20-12-16(40(36,37)38)8-10-22(20)30(24)6;1-3-5-15-29-21-11-7-9-13-23(21)33-25(29)17-19-27(31)20(28(19)32)18-26-30(16-6-4-2)22-12-8-10-14-24(22)34-26;;/h7-18,21-22H,3-6,19-20H2,1-2H3;7-16,19-22H,3-6,17-18H2,1-2H3;7-14H,1-6H3,(H2-,31,32,33,34,35,36,37,38);7-14,17-18H,3-6,15-16H2,1-2H3;;/q;;;;2*+1/p-2
• InChIKey: KEWJPPUWWTUWJB-UHFFFAOYSA-L
• XLogP: 15.62
• TPSA: 302.53 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 28
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2214.95
LogP ≤ 5	15.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;(4Z)-4-[(3-butylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butylbenzo[g][1,3]benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(3-butyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(1-butylquinolin-1-ium-4-yl)methylidene]-2-[(E)-(1-butylquinolin-4-ylidene)methyl]-3-oxocyclobuten-1-olate;(2E)-1,3,3-trimethyl-2-[[(3Z)-2-oxido-4-oxo-3-[(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)methylidene]cyclobuten-1-yl]methylidene]indole-5-sulfonate?

The IUPAC name of dipotassium;(4Z)-4-[(3-butylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butylbenzo[g][1,3]benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(3-butyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(1-butylquinolin-1-ium-4-yl)methylidene]-2-[(E)-(1-butylquinolin-4-ylidene)methyl]-3-oxocyclobuten-1-olate;(2E)-1,3,3-trimethyl-2-[[(3Z)-2-oxido-4-oxo-3-[(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)methylidene]cyclobuten-1-yl]methylidene]indole-5-sulfonate (CID 159114189) is dipotassium;(4Z)-4-[(3-butylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butylbenzo[g][1,3]benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(3-butyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(1-butylquinolin-1-ium-4-yl)methylidene]-2-[(E)-(1-butylquinolin-4-ylidene)methyl]-3-oxocyclobuten-1-olate;(2E)-1,3,3-trimethyl-2-[[(3Z)-2-oxido-4-oxo-3-[(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)methylidene]cyclobuten-1-yl]methylidene]indole-5-sulfonate.

What is the SMILES notation for dipotassium;(4Z)-4-[(3-butylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butylbenzo[g][1,3]benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(3-butyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(1-butylquinolin-1-ium-4-yl)methylidene]-2-[(E)-(1-butylquinolin-4-ylidene)methyl]-3-oxocyclobuten-1-olate;(2E)-1,3,3-trimethyl-2-[[(3Z)-2-oxido-4-oxo-3-[(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)methylidene]cyclobuten-1-yl]methylidene]indole-5-sulfonate?

The canonical SMILES for dipotassium;(4Z)-4-[(3-butylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butylbenzo[g][1,3]benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(3-butyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(1-butylquinolin-1-ium-4-yl)methylidene]-2-[(E)-(1-butylquinolin-4-ylidene)methyl]-3-oxocyclobuten-1-olate;(2E)-1,3,3-trimethyl-2-[[(3Z)-2-oxido-4-oxo-3-[(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)methylidene]cyclobuten-1-yl]methylidene]indole-5-sulfonate is CCCCN1/C(=C/C2=C([O-])/C(=C/c3sc4c5ccccc5ccc4[n+]3CCCC)C2=O)Sc2c1ccc1ccccc21.CCCCN1/C(=C/C2=C([O-])/C(=C/c3sc4ccccc4[n+]3CCCC)C2=O)Sc2ccccc21.CCCCN1C=C/C(=C\C2=C([O-])/C(=C/c3cc[n+](CCCC)c4ccccc34)C2=O)c2ccccc21.CN1/C(=C/C2=C([O-])/C(=C/C3=[N+](C)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)C2=O)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21.[K+].[K+].

What is the InChIKey of dipotassium;(4Z)-4-[(3-butylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butylbenzo[g][1,3]benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(3-butyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(1-butylquinolin-1-ium-4-yl)methylidene]-2-[(E)-(1-butylquinolin-4-ylidene)methyl]-3-oxocyclobuten-1-olate;(2E)-1,3,3-trimethyl-2-[[(3Z)-2-oxido-4-oxo-3-[(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)methylidene]cyclobuten-1-yl]methylidene]indole-5-sulfonate?

The InChIKey is KEWJPPUWWTUWJB-UHFFFAOYSA-L. The full InChI is InChI=1S/C36H32N2O2S2.C32H32N2O2.C28H28N2O8S2.C28H28N2O2S2.2K/c1-3-5-19-37-29-17-15-23-11-7-9-13-25(23)35(29)41-31(37)21-27-33(39)28(34(27)40)22-32-38(20-6-4-2)30-18-16-24-12-8-10-14-26(24)36(30)42-32;1-3-5-17-33-19-15-23(25-11-7-9-13-29(25)33)21-27-31(35)28(32(27)36)22-24-16-20-34(18-6-4-2)30-14-10-8-12-26(24)30;1-27(2)19-11-15(39(33,34)35)7-9-21(19)29(5)23(27)13-17-25(31)18(26(17)32)14-24-28(3,4)20-12-16(40(36,37)38)8-10-22(20)30(24)6;1-3-5-15-29-21-11-7-9-13-23(21)33-25(29)17-19-27(31)20(28(19)32)18-26-30(16-6-4-2)22-12-8-10-14-24(22)34-26;;/h7-18,21-22H,3-6,19-20H2,1-2H3;7-16,19-22H,3-6,17-18H2,1-2H3;7-14H,1-6H3,(H2-,31,32,33,34,35,36,37,38);7-14,17-18H,3-6,15-16H2,1-2H3;;/q;;;;2*+1/p-2.

What are the key properties of dipotassium;(4Z)-4-[(3-butylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butylbenzo[g][1,3]benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(3-butyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(1-butylquinolin-1-ium-4-yl)methylidene]-2-[(E)-(1-butylquinolin-4-ylidene)methyl]-3-oxocyclobuten-1-olate;(2E)-1,3,3-trimethyl-2-[[(3Z)-2-oxido-4-oxo-3-[(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)methylidene]cyclobuten-1-yl]methylidene]indole-5-sulfonate?

dipotassium;(4Z)-4-[(3-butylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butylbenzo[g][1,3]benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(3-butyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(1-butylquinolin-1-ium-4-yl)methylidene]-2-[(E)-(1-butylquinolin-4-ylidene)methyl]-3-oxocyclobuten-1-olate;(2E)-1,3,3-trimethyl-2-[[(3Z)-2-oxido-4-oxo-3-[(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)methylidene]cyclobuten-1-yl]methylidene]indole-5-sulfonate has a molecular weight of 2214.95 g/mol, XLogP of 15.62, 28 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;(4Z)-4-[(3-butylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butylbenzo[g][1,3]benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(3-butyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-[(Z)-(3-butyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate;(4Z)-4-[(1-butylquinolin-1-ium-4-yl)methylidene]-2-[(E)-(1-butylquinolin-4-ylidene)methyl]-3-oxocyclobuten-1-olate;(2E)-1,3,3-trimethyl-2-[[(3Z)-2-oxido-4-oxo-3-[(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)methylidene]cyclobuten-1-yl]methylidene]indole-5-sulfonate is sourced from PubChem (CID 159114189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).