6-chloro-N-[3-[4-[1-[3-[4-[1-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]-2-methoxyacridin-9-amine

C57H54Cl2N8O2+4 — CID 10748934

About 6-chloro-N-[3-[4-[1-[3-[4-[1-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]-2-methoxyacridin-9-amine

6-chloro-N-[3-[4-[1-[3-[4-[1-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]-2-methoxyacridin-9-amine (PubChem CID 10748934) has the molecular formula C57H54Cl2N8O2+4 and a molecular weight of 954.02 g/mol. Its IUPAC name is 6-chloro-N-[3-[4-[1-[3-[4-[1-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]-2-methoxyacridin-9-amine.

Molecular Properties

• Compound Name: 6-chloro-N-[3-[4-[1-[3-[4-[1-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]-2-methoxyacridin-9-amine
• PubChem CID: 10748934
• Molecular Formula: C57H54Cl2N8O2+4
• Molecular Weight: 954.02 g/mol
• Exact Mass: 952.37
• IUPAC Name: 6-chloro-N-[3-[4-[1-[3-[4-[1-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]-2-methoxyacridin-9-amine
• SMILES: COc1ccc2nc3cc(Cl)ccc3c(NCCC[n+]3ccc(-c4cc[n+](CCC[n+]5ccc(-c6cc[n+](CCCNc7c8ccc(Cl)cc8nc8ccc(OC)cc78)cc6)cc5)cc4)cc3)c2c1
• InChI: InChI=1S/C57H54Cl2N8O2/c1-68-46-8-12-52-50(38-46)56(48-10-6-44(58)36-54(48)62-52)60-22-3-24-64-28-14-40(15-29-64)42-18-32-66(33-19-42)26-5-27-67-34-20-43(21-35-67)41-16-30-65(31-17-41)25-4-23-61-57-49-11-7-45(59)37-55(49)63-53-13-9-47(69-2)39-51(53)57/h6-21,28-39H,3-5,22-27H2,1-2H3,(H,60,62)(H,61,63)/q+4
• InChIKey: UTDFSWLJUJSLOU-UHFFFAOYSA-N
• XLogP: 10.99
• TPSA: 83.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	954.02
LogP ≤ 5	10.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-[4-[1-[3-[4-[1-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]-2-methoxyacridin-9-amine?

The IUPAC name of 6-chloro-N-[3-[4-[1-[3-[4-[1-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]-2-methoxyacridin-9-amine (CID 10748934) is 6-chloro-N-[3-[4-[1-[3-[4-[1-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]-2-methoxyacridin-9-amine.

What is the SMILES notation for 6-chloro-N-[3-[4-[1-[3-[4-[1-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]-2-methoxyacridin-9-amine?

The canonical SMILES for 6-chloro-N-[3-[4-[1-[3-[4-[1-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]-2-methoxyacridin-9-amine is COc1ccc2nc3cc(Cl)ccc3c(NCCC[n+]3ccc(-c4cc[n+](CCC[n+]5ccc(-c6cc[n+](CCCNc7c8ccc(Cl)cc8nc8ccc(OC)cc78)cc6)cc5)cc4)cc3)c2c1.

What is the InChIKey of 6-chloro-N-[3-[4-[1-[3-[4-[1-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]-2-methoxyacridin-9-amine?

The InChIKey is UTDFSWLJUJSLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H54Cl2N8O2/c1-68-46-8-12-52-50(38-46)56(48-10-6-44(58)36-54(48)62-52)60-22-3-24-64-28-14-40(15-29-64)42-18-32-66(33-19-42)26-5-27-67-34-20-43(21-35-67)41-16-30-65(31-17-41)25-4-23-61-57-49-11-7-45(59)37-55(49)63-53-13-9-47(69-2)39-51(53)57/h6-21,28-39H,3-5,22-27H2,1-2H3,(H,60,62)(H,61,63)/q+4.

What are the key properties of 6-chloro-N-[3-[4-[1-[3-[4-[1-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]-2-methoxyacridin-9-amine?

6-chloro-N-[3-[4-[1-[3-[4-[1-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]-2-methoxyacridin-9-amine has a molecular weight of 954.02 g/mol, XLogP of 10.99, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[3-[4-[1-[3-[4-[1-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]-2-methoxyacridin-9-amine is sourced from PubChem (CID 10748934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).