3-[(2Z)-1-hexyl-2-[(2E,4E)-5-[1-hexyl-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-3,3-dimethylindeno[1,2-f]indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-9-(3-oxobutyl)indeno[1,2-f]indol-9-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide

C133H218N5O37+ — CID 170097691

About 3-[(2Z)-1-hexyl-2-[(2E,4E)-5-[1-hexyl-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-3,3-dimethylindeno[1,2-f]indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-9-(3-oxobutyl)indeno[1,2-f]indol-9-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide

3-[(2Z)-1-hexyl-2-[(2E,4E)-5-[1-hexyl-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-3,3-dimethylindeno[1,2-f]indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-9-(3-oxobutyl)indeno[1,2-f]indol-9-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 170097691) has the molecular formula C133H218N5O37+ and a molecular weight of 2479.21 g/mol. Its IUPAC name is 3-[(2Z)-1-hexyl-2-[(2E,4E)-5-[1-hexyl-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-3,3-dimethylindeno[1,2-f]indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-9-(3-oxobutyl)indeno[1,2-f]indol-9-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

• Compound Name: 3-[(2Z)-1-hexyl-2-[(2E,4E)-5-[1-hexyl-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-3,3-dimethylindeno[1,2-f]indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-9-(3-oxobutyl)indeno[1,2-f]indol-9-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
• PubChem CID: 170097691
• Molecular Formula: C133H218N5O37+
• Molecular Weight: 2479.21 g/mol
• Exact Mass: 2477.53
• IUPAC Name: 3-[(2Z)-1-hexyl-2-[(2E,4E)-5-[1-hexyl-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-3,3-dimethylindeno[1,2-f]indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-9-(3-oxobutyl)indeno[1,2-f]indol-9-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
• SMILES: CCCCCCN1/C(=C\C=C\C=C\C2=[N+](CCCCCC)c3cc4c(cc3C2(C)C)-c2ccccc2C4(CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C(C)(C)c2cc3c(cc21)C(CCC(C)=O)(CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c1ccccc1-3
• InChI: InChI=1S/C133H217N5O37/c1-11-13-15-24-43-137-123-110-119-115(113-26-20-22-28-117(113)132(119,36-32-112(3)139)37-33-127(140)134-40-45-146-54-57-152-66-69-158-78-81-164-90-93-170-102-105-173-99-96-167-87-84-161-75-72-155-63-60-149-51-48-143-8)108-121(123)130(4,5)125(137)30-18-17-19-31-126-131(6,7)122-109-116-114-27-21-23-29-118(114)133(120(116)111-124(122)138(126)44-25-16-14-12-2,38-34-128(141)135-41-46-147-55-58-153-67-70-159-79-82-165-91-94-171-103-106-174-100-97-168-88-85-162-76-73-156-64-61-150-52-49-144-9)39-35-129(142)136-42-47-148-56-59-154-68-71-160-80-83-166-92-95-172-104-107-175-101-98-169-89-86-163-77-74-157-65-62-151-53-50-145-10/h17-23,26-31,108-111H,11-16,24-25,32-107H2,1-10H3,(H2-,134,135,136,140,141,142)/p+1
• InChIKey: YYLBQUPZMYFVPT-UHFFFAOYSA-O
• XLogP: 14.05
• TPSA: 415.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 38
• Rotatable Bonds: 124
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2479.21
LogP ≤ 5	14.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-1-hexyl-2-[(2E,4E)-5-[1-hexyl-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-3,3-dimethylindeno[1,2-f]indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-9-(3-oxobutyl)indeno[1,2-f]indol-9-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?

The IUPAC name of 3-[(2Z)-1-hexyl-2-[(2E,4E)-5-[1-hexyl-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-3,3-dimethylindeno[1,2-f]indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-9-(3-oxobutyl)indeno[1,2-f]indol-9-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (CID 170097691) is 3-[(2Z)-1-hexyl-2-[(2E,4E)-5-[1-hexyl-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-3,3-dimethylindeno[1,2-f]indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-9-(3-oxobutyl)indeno[1,2-f]indol-9-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.

What is the SMILES notation for 3-[(2Z)-1-hexyl-2-[(2E,4E)-5-[1-hexyl-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-3,3-dimethylindeno[1,2-f]indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-9-(3-oxobutyl)indeno[1,2-f]indol-9-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?

The canonical SMILES for 3-[(2Z)-1-hexyl-2-[(2E,4E)-5-[1-hexyl-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-3,3-dimethylindeno[1,2-f]indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-9-(3-oxobutyl)indeno[1,2-f]indol-9-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is CCCCCCN1/C(=C\C=C\C=C\C2=[N+](CCCCCC)c3cc4c(cc3C2(C)C)-c2ccccc2C4(CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C(C)(C)c2cc3c(cc21)C(CCC(C)=O)(CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c1ccccc1-3.

What is the InChIKey of 3-[(2Z)-1-hexyl-2-[(2E,4E)-5-[1-hexyl-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-3,3-dimethylindeno[1,2-f]indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-9-(3-oxobutyl)indeno[1,2-f]indol-9-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?

The InChIKey is YYLBQUPZMYFVPT-UHFFFAOYSA-O. The full InChI is InChI=1S/C133H217N5O37/c1-11-13-15-24-43-137-123-110-119-115(113-26-20-22-28-117(113)132(119,36-32-112(3)139)37-33-127(140)134-40-45-146-54-57-152-66-69-158-78-81-164-90-93-170-102-105-173-99-96-167-87-84-161-75-72-155-63-60-149-51-48-143-8)108-121(123)130(4,5)125(137)30-18-17-19-31-126-131(6,7)122-109-116-114-27-21-23-29-118(114)133(120(116)111-124(122)138(126)44-25-16-14-12-2,38-34-128(141)135-41-46-147-55-58-153-67-70-159-79-82-165-91-94-171-103-106-174-100-97-168-88-85-162-76-73-156-64-61-150-52-49-144-9)39-35-129(142)136-42-47-148-56-59-154-68-71-160-80-83-166-92-95-172-104-107-175-101-98-169-89-86-163-77-74-157-65-62-151-53-50-145-10/h17-23,26-31,108-111H,11-16,24-25,32-107H2,1-10H3,(H2-,134,135,136,140,141,142)/p+1.

What are the key properties of 3-[(2Z)-1-hexyl-2-[(2E,4E)-5-[1-hexyl-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-3,3-dimethylindeno[1,2-f]indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-9-(3-oxobutyl)indeno[1,2-f]indol-9-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?

3-[(2Z)-1-hexyl-2-[(2E,4E)-5-[1-hexyl-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-3,3-dimethylindeno[1,2-f]indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-9-(3-oxobutyl)indeno[1,2-f]indol-9-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 2479.21 g/mol, XLogP of 14.05, 124 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2Z)-1-hexyl-2-[(2E,4E)-5-[1-hexyl-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-3,3-dimethylindeno[1,2-f]indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-9-(3-oxobutyl)indeno[1,2-f]indol-9-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 170097691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).