N-[2-[2-[2-[2-[2-[4-[[4-[[2-[4-[2-[bis(2-methylpropyl)amino]acetyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethoxy]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide

C61H78Cl2N8O8S — CID 171638295

About N-[2-[2-[2-[2-[2-[4-[[4-[[2-[4-[2-[bis(2-methylpropyl)amino]acetyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethoxy]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide

N-[2-[2-[2-[2-[2-[4-[[4-[[2-[4-[2-[bis(2-methylpropyl)amino]acetyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethoxy]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide (PubChem CID 171638295) has the molecular formula C61H78Cl2N8O8S and a molecular weight of 1154.32 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[4-[[4-[[2-[4-[2-[bis(2-methylpropyl)amino]acetyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethoxy]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[2-[2-[4-[[4-[[2-[4-[2-[bis(2-methylpropyl)amino]acetyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethoxy]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide
• PubChem CID: 171638295
• Molecular Formula: C61H78Cl2N8O8S
• Molecular Weight: 1154.32 g/mol
• Exact Mass: 1152.50
• IUPAC Name: N-[2-[2-[2-[2-[2-[4-[[4-[[2-[4-[2-[bis(2-methylpropyl)amino]acetyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethoxy]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide
• SMILES: CCn1c2ccc(C(=O)NCCOCCOCCOCCOCCn3cc(COc4ccc(COC(CN5CCN(C(=O)CN(CC(C)C)CC(C)C)CC5)c5ccc(Cl)cc5Cl)cc4)nn3)cc2c2ccc(-c3cccs3)cc21
• InChI: InChI=1S/C61H78Cl2N8O8S/c1-6-71-56-18-12-48(34-54(56)52-16-11-47(35-57(52)71)59-8-7-33-80-59)61(73)64-19-25-74-27-29-76-31-32-77-30-28-75-26-24-70-39-50(65-66-70)43-78-51-14-9-46(10-15-51)42-79-58(53-17-13-49(62)36-55(53)63)40-67-20-22-69(23-21-67)60(72)41-68(37-44(2)3)38-45(4)5/h7-18,33-36,39,44-45,58H,6,19-32,37-38,40-43H2,1-5H3,(H,64,73)
• InChIKey: RAXQYYZDJSFFDE-UHFFFAOYSA-N
• XLogP: 10.53
• TPSA: 146.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 33
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1154.32
LogP ≤ 5	10.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-[4-[[4-[[2-[4-[2-[bis(2-methylpropyl)amino]acetyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethoxy]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide?

The IUPAC name of N-[2-[2-[2-[2-[2-[4-[[4-[[2-[4-[2-[bis(2-methylpropyl)amino]acetyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethoxy]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide (CID 171638295) is N-[2-[2-[2-[2-[2-[4-[[4-[[2-[4-[2-[bis(2-methylpropyl)amino]acetyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethoxy]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide.

What is the SMILES notation for N-[2-[2-[2-[2-[2-[4-[[4-[[2-[4-[2-[bis(2-methylpropyl)amino]acetyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethoxy]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide?

The canonical SMILES for N-[2-[2-[2-[2-[2-[4-[[4-[[2-[4-[2-[bis(2-methylpropyl)amino]acetyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethoxy]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide is CCn1c2ccc(C(=O)NCCOCCOCCOCCOCCn3cc(COc4ccc(COC(CN5CCN(C(=O)CN(CC(C)C)CC(C)C)CC5)c5ccc(Cl)cc5Cl)cc4)nn3)cc2c2ccc(-c3cccs3)cc21.

What is the InChIKey of N-[2-[2-[2-[2-[2-[4-[[4-[[2-[4-[2-[bis(2-methylpropyl)amino]acetyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethoxy]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide?

The InChIKey is RAXQYYZDJSFFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H78Cl2N8O8S/c1-6-71-56-18-12-48(34-54(56)52-16-11-47(35-57(52)71)59-8-7-33-80-59)61(73)64-19-25-74-27-29-76-31-32-77-30-28-75-26-24-70-39-50(65-66-70)43-78-51-14-9-46(10-15-51)42-79-58(53-17-13-49(62)36-55(53)63)40-67-20-22-69(23-21-67)60(72)41-68(37-44(2)3)38-45(4)5/h7-18,33-36,39,44-45,58H,6,19-32,37-38,40-43H2,1-5H3,(H,64,73).

What are the key properties of N-[2-[2-[2-[2-[2-[4-[[4-[[2-[4-[2-[bis(2-methylpropyl)amino]acetyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethoxy]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide?

N-[2-[2-[2-[2-[2-[4-[[4-[[2-[4-[2-[bis(2-methylpropyl)amino]acetyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethoxy]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide has a molecular weight of 1154.32 g/mol, XLogP of 10.53, 33 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[2-[2-[4-[[4-[[2-[4-[2-[bis(2-methylpropyl)amino]acetyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethoxy]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide is sourced from PubChem (CID 171638295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).