hexakis(4-(benzimidazol-1-yl)thiophene-2-carboxamide);butane;hexane;4-(2-nonylbenzimidazol-1-yl)thiophene-2-carboxamide;octane;pentane;propane;undecane

C130H167N21O7S7 — CID 159408401

About hexakis(4-(benzimidazol-1-yl)thiophene-2-carboxamide);butane;hexane;4-(2-nonylbenzimidazol-1-yl)thiophene-2-carboxamide;octane;pentane;propane;undecane

hexakis(4-(benzimidazol-1-yl)thiophene-2-carboxamide);butane;hexane;4-(2-nonylbenzimidazol-1-yl)thiophene-2-carboxamide;octane;pentane;propane;undecane (PubChem CID 159408401) has the molecular formula C130H167N21O7S7 and a molecular weight of 2360.37 g/mol. Its IUPAC name is hexakis(4-(benzimidazol-1-yl)thiophene-2-carboxamide);butane;hexane;4-(2-nonylbenzimidazol-1-yl)thiophene-2-carboxamide;octane;pentane;propane;undecane.

Molecular Properties

• Compound Name: hexakis(4-(benzimidazol-1-yl)thiophene-2-carboxamide);butane;hexane;4-(2-nonylbenzimidazol-1-yl)thiophene-2-carboxamide;octane;pentane;propane;undecane
• PubChem CID: 159408401
• Molecular Formula: C130H167N21O7S7
• Molecular Weight: 2360.37 g/mol
• Exact Mass: 2358.14
• IUPAC Name: hexakis(4-(benzimidazol-1-yl)thiophene-2-carboxamide);butane;hexane;4-(2-nonylbenzimidazol-1-yl)thiophene-2-carboxamide;octane;pentane;propane;undecane
• SMILES: CCC.CCCC.CCCCC.CCCCCC.CCCCCCCC.CCCCCCCCCCC.CCCCCCCCCc1nc2ccccc2n1-c1csc(C(N)=O)c1.NC(=O)c1cc(-n2cnc3ccccc32)cs1.NC(=O)c1cc(-n2cnc3ccccc32)cs1.NC(=O)c1cc(-n2cnc3ccccc32)cs1.NC(=O)c1cc(-n2cnc3ccccc32)cs1.NC(=O)c1cc(-n2cnc3ccccc32)cs1.NC(=O)c1cc(-n2cnc3ccccc32)cs1
• InChI: InChI=1S/C21H27N3OS.6C12H9N3OS.C11H24.C8H18.C6H14.C5H12.C4H10.C3H8/c1-2-3-4-5-6-7-8-13-20-23-17-11-9-10-12-18(17)24(20)16-14-19(21(22)25)26-15-16;6*13-12(16)11-5-8(6-17-11)15-7-14-9-3-1-2-4-10(9)15;1-3-5-7-9-11-10-8-6-4-2;1-3-5-7-8-6-4-2;1-3-5-6-4-2;1-3-5-4-2;1-3-4-2;1-3-2/h9-12,14-15H,2-8,13H2,1H3,(H2,22,25);6*1-7H,(H2,13,16);3-11H2,1-2H3;3-8H2,1-2H3;3-6H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3
• InChIKey: LOGKICGXKLZUSC-UHFFFAOYSA-N
• XLogP: 34.50
• TPSA: 426.37 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 41
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2360.37
LogP ≤ 5	34.50
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of hexakis(4-(benzimidazol-1-yl)thiophene-2-carboxamide);butane;hexane;4-(2-nonylbenzimidazol-1-yl)thiophene-2-carboxamide;octane;pentane;propane;undecane?

The IUPAC name of hexakis(4-(benzimidazol-1-yl)thiophene-2-carboxamide);butane;hexane;4-(2-nonylbenzimidazol-1-yl)thiophene-2-carboxamide;octane;pentane;propane;undecane (CID 159408401) is hexakis(4-(benzimidazol-1-yl)thiophene-2-carboxamide);butane;hexane;4-(2-nonylbenzimidazol-1-yl)thiophene-2-carboxamide;octane;pentane;propane;undecane.

What is the SMILES notation for hexakis(4-(benzimidazol-1-yl)thiophene-2-carboxamide);butane;hexane;4-(2-nonylbenzimidazol-1-yl)thiophene-2-carboxamide;octane;pentane;propane;undecane?

The canonical SMILES for hexakis(4-(benzimidazol-1-yl)thiophene-2-carboxamide);butane;hexane;4-(2-nonylbenzimidazol-1-yl)thiophene-2-carboxamide;octane;pentane;propane;undecane is CCC.CCCC.CCCCC.CCCCCC.CCCCCCCC.CCCCCCCCCCC.CCCCCCCCCc1nc2ccccc2n1-c1csc(C(N)=O)c1.NC(=O)c1cc(-n2cnc3ccccc32)cs1.NC(=O)c1cc(-n2cnc3ccccc32)cs1.NC(=O)c1cc(-n2cnc3ccccc32)cs1.NC(=O)c1cc(-n2cnc3ccccc32)cs1.NC(=O)c1cc(-n2cnc3ccccc32)cs1.NC(=O)c1cc(-n2cnc3ccccc32)cs1.

What is the InChIKey of hexakis(4-(benzimidazol-1-yl)thiophene-2-carboxamide);butane;hexane;4-(2-nonylbenzimidazol-1-yl)thiophene-2-carboxamide;octane;pentane;propane;undecane?

The InChIKey is LOGKICGXKLZUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OS.6C12H9N3OS.C11H24.C8H18.C6H14.C5H12.C4H10.C3H8/c1-2-3-4-5-6-7-8-13-20-23-17-11-9-10-12-18(17)24(20)16-14-19(21(22)25)26-15-16;6*13-12(16)11-5-8(6-17-11)15-7-14-9-3-1-2-4-10(9)15;1-3-5-7-9-11-10-8-6-4-2;1-3-5-7-8-6-4-2;1-3-5-6-4-2;1-3-5-4-2;1-3-4-2;1-3-2/h9-12,14-15H,2-8,13H2,1H3,(H2,22,25);6*1-7H,(H2,13,16);3-11H2,1-2H3;3-8H2,1-2H3;3-6H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3.

What are the key properties of hexakis(4-(benzimidazol-1-yl)thiophene-2-carboxamide);butane;hexane;4-(2-nonylbenzimidazol-1-yl)thiophene-2-carboxamide;octane;pentane;propane;undecane?

hexakis(4-(benzimidazol-1-yl)thiophene-2-carboxamide);butane;hexane;4-(2-nonylbenzimidazol-1-yl)thiophene-2-carboxamide;octane;pentane;propane;undecane has a molecular weight of 2360.37 g/mol, XLogP of 34.50, 41 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for hexakis(4-(benzimidazol-1-yl)thiophene-2-carboxamide);butane;hexane;4-(2-nonylbenzimidazol-1-yl)thiophene-2-carboxamide;octane;pentane;propane;undecane is sourced from PubChem (CID 159408401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).