N-[2-[2-[2-[2-[2-[4-[4-[4-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]piperazin-1-yl]-4-oxobutyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide

C58H65Cl2N7O7S — CID 171638788

IUPACN-[2-[2-[2-[2-[2-[4-[4-[4-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]piperazin-1-yl]-4-oxobutyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide
SMILESCCn1c2ccc(C(=O)NCCOCCOCCOCCOCCn3cc(CCCC(=O)N4CCN(CC(OCc5ccc6ccccc6c5)c5ccc(Cl)cc5Cl)CC4)nn3)cc2c2ccc(-c3cccs3)cc21
InChIInChI=1S/C58H65Cl2N7O7S/c1-2-67-53-19-15-46(36-51(53)49-17-14-45(37-54(49)67)56-10-6-34-75-56)58(69)61-20-26-70-28-30-72-32-33-73-31-29-71-27-25-66-39-48(62-63-66)9-5-11-57(68)65-23-21-64(22-24-65)40-55(50-18-16-47(59)38-52(50)60)74-41-42-12-13-43-7-3-4-8-44(43)35-42/h3-4,6-8,10,12-19,34-39,55H,2,5,9,11,20-33,40-41H2,1H3,(H,61,69)
InChIKeyADBHDCPCLFWXJE-UHFFFAOYSA-N
MW1075.17 g/mol
LogP10.52
Rot. Bonds28

About N-[2-[2-[2-[2-[2-[4-[4-[4-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]piperazin-1-yl]-4-oxobutyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide

N-[2-[2-[2-[2-[2-[4-[4-[4-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]piperazin-1-yl]-4-oxobutyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide (PubChem CID 171638788) has the molecular formula C58H65Cl2N7O7S and a molecular weight of 1075.17 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[4-[4-[4-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]piperazin-1-yl]-4-oxobutyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-[4-[4-[4-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]piperazin-1-yl]-4-oxobutyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide
PubChem CID171638788
Molecular FormulaC58H65Cl2N7O7S
Molecular Weight1075.17 g/mol
Exact Mass1073.40
IUPAC NameN-[2-[2-[2-[2-[2-[4-[4-[4-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]piperazin-1-yl]-4-oxobutyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide
SMILESCCn1c2ccc(C(=O)NCCOCCOCCOCCOCCn3cc(CCCC(=O)N4CCN(CC(OCc5ccc6ccccc6c5)c5ccc(Cl)cc5Cl)CC4)nn3)cc2c2ccc(-c3cccs3)cc21
InChIInChI=1S/C58H65Cl2N7O7S/c1-2-67-53-19-15-46(36-51(53)49-17-14-45(37-54(49)67)56-10-6-34-75-56)58(69)61-20-26-70-28-30-72-32-33-73-31-29-71-27-25-66-39-48(62-63-66)9-5-11-57(68)65-23-21-64(22-24-65)40-55(50-18-16-47(59)38-52(50)60)74-41-42-12-13-43-7-3-4-8-44(43)35-42/h3-4,6-8,10,12-19,34-39,55H,2,5,9,11,20-33,40-41H2,1H3,(H,61,69)
InChIKeyADBHDCPCLFWXJE-UHFFFAOYSA-N
XLogP10.52
TPSA134.44 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds28
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001075.17
LogP ≤ 510.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze N-[2-[2-[2-[2-[2-[4-[4-[4-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]piperazin-1-yl]-4-oxobutyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-[2-[2-[2-[2-(4-butyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]-N-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methyl]ethanamine;4-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]piperazine-1-carbaldehyde
CID 171638329
4-butyl-1-(2-propoxyethyl)triazole;4-[2-(2,4-dichlorophenyl)-4-naphthalen-2-ylbutyl]piperazine-1-carbaldehyde;N-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methyl]-2-(2-propoxyethoxy)ethanamine
CID 171639229

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-[4-[4-[4-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]piperazin-1-yl]-4-oxobutyl]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-[4-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]piperazin-1-yl]-4-oxobutyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide (CID 171638788) is N-[2-[2-[2-[2-[2-[4-[4-[4-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]piperazin-1-yl]-4-oxobutyl]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-[4-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]piperazin-1-yl]-4-oxobutyl]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-[4-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]piperazin-1-yl]-4-oxobutyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide is CCn1c2ccc(C(=O)NCCOCCOCCOCCOCCn3cc(CCCC(=O)N4CCN(CC(OCc5ccc6ccccc6c5)c5ccc(Cl)cc5Cl)CC4)nn3)cc2c2ccc(-c3cccs3)cc21.
What is the InChIKey of N-[2-[2-[2-[2-[2-[4-[4-[4-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]piperazin-1-yl]-4-oxobutyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide?
The InChIKey is ADBHDCPCLFWXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H65Cl2N7O7S/c1-2-67-53-19-15-46(36-51(53)49-17-14-45(37-54(49)67)56-10-6-34-75-56)58(69)61-20-26-70-28-30-72-32-33-73-31-29-71-27-25-66-39-48(62-63-66)9-5-11-57(68)65-23-21-64(22-24-65)40-55(50-18-16-47(59)38-52(50)60)74-41-42-12-13-43-7-3-4-8-44(43)35-42/h3-4,6-8,10,12-19,34-39,55H,2,5,9,11,20-33,40-41H2,1H3,(H,61,69).
What are the key properties of N-[2-[2-[2-[2-[2-[4-[4-[4-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]piperazin-1-yl]-4-oxobutyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide?
N-[2-[2-[2-[2-[2-[4-[4-[4-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]piperazin-1-yl]-4-oxobutyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide has a molecular weight of 1075.17 g/mol, XLogP of 10.52, 28 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[2-[4-[4-[4-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]piperazin-1-yl]-4-oxobutyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-9-ethyl-7-thiophen-2-ylcarbazole-3-carboxamide is sourced from PubChem (CID 171638788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).