2-[2-[3-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]-2-[2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]ethoxymethyl]-2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxymethyl]propoxy]ethoxy]ethyl 2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetate

C133H144N4O22 — CID 89273873

About 2-[2-[3-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]-2-[2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]ethoxymethyl]-2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxymethyl]propoxy]ethoxy]ethyl 2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetate

2-[2-[3-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]-2-[2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]ethoxymethyl]-2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxymethyl]propoxy]ethoxy]ethyl 2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetate (PubChem CID 89273873) has the molecular formula C133H144N4O22 and a molecular weight of 2150.62 g/mol. Its IUPAC name is 2-[2-[3-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]-2-[2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]ethoxymethyl]-2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxymethyl]propoxy]ethoxy]ethyl 2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetate.

Molecular Properties

• Compound Name: 2-[2-[3-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]-2-[2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]ethoxymethyl]-2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxymethyl]propoxy]ethoxy]ethyl 2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetate
• PubChem CID: 89273873
• Molecular Formula: C133H144N4O22
• Molecular Weight: 2150.62 g/mol
• Exact Mass: 2149.03
• IUPAC Name: 2-[2-[3-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]-2-[2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]ethoxymethyl]-2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxymethyl]propoxy]ethoxy]ethyl 2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetate
• SMILES: CCCCC(CC)Cn1c2ccc(C(=O)C(=O)OCCOCCOCC(COCCOCCOC(=O)C(=O)c3ccc4c(c3)c3cc(C(=O)c5ccccc5)ccc3n4CC(CC)CCCC)(COCCOC(=O)C(=O)c3ccc4c(c3)c3cc(C(=O)c5ccccc5)ccc3n4CC(CC)CCCC)COCCOC(=O)C(=O)c3ccc4c(c3)c3cc(C(=O)c5ccccc5)ccc3n4CC(CC)CCCC)cc2c2cc(C(=O)c3ccccc3)ccc21
• InChI: InChI=1S/C133H144N4O22/c1-9-17-33-89(13-5)81-134-113-53-45-97(121(138)93-37-25-21-26-38-93)73-105(113)109-77-101(49-57-117(109)134)125(142)129(146)156-69-65-150-61-63-152-85-133(87-154-67-71-158-131(148)127(144)103-51-59-119-111(79-103)107-75-99(123(140)95-41-29-23-30-42-95)47-55-115(107)136(119)83-91(15-7)35-19-11-3,88-155-68-72-159-132(149)128(145)104-52-60-120-112(80-104)108-76-100(124(141)96-43-31-24-32-44-96)48-56-116(108)137(120)84-92(16-8)36-20-12-4)86-153-64-62-151-66-70-157-130(147)126(143)102-50-58-118-110(78-102)106-74-98(122(139)94-39-27-22-28-40-94)46-54-114(106)135(118)82-90(14-6)34-18-10-2/h21-32,37-60,73-80,89-92H,9-20,33-36,61-72,81-88H2,1-8H3
• InChIKey: ZNWSYKIOJHUDSV-UHFFFAOYSA-N
• XLogP: 26.00
• TPSA: 316.86 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 66
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2150.62
LogP ≤ 5	26.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]-2-[2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]ethoxymethyl]-2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxymethyl]propoxy]ethoxy]ethyl 2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetate?

The IUPAC name of 2-[2-[3-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]-2-[2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]ethoxymethyl]-2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxymethyl]propoxy]ethoxy]ethyl 2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetate (CID 89273873) is 2-[2-[3-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]-2-[2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]ethoxymethyl]-2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxymethyl]propoxy]ethoxy]ethyl 2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetate.

What is the SMILES notation for 2-[2-[3-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]-2-[2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]ethoxymethyl]-2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxymethyl]propoxy]ethoxy]ethyl 2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetate?

The canonical SMILES for 2-[2-[3-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]-2-[2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]ethoxymethyl]-2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxymethyl]propoxy]ethoxy]ethyl 2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetate is CCCCC(CC)Cn1c2ccc(C(=O)C(=O)OCCOCCOCC(COCCOCCOC(=O)C(=O)c3ccc4c(c3)c3cc(C(=O)c5ccccc5)ccc3n4CC(CC)CCCC)(COCCOC(=O)C(=O)c3ccc4c(c3)c3cc(C(=O)c5ccccc5)ccc3n4CC(CC)CCCC)COCCOC(=O)C(=O)c3ccc4c(c3)c3cc(C(=O)c5ccccc5)ccc3n4CC(CC)CCCC)cc2c2cc(C(=O)c3ccccc3)ccc21.

What is the InChIKey of 2-[2-[3-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]-2-[2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]ethoxymethyl]-2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxymethyl]propoxy]ethoxy]ethyl 2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetate?

The InChIKey is ZNWSYKIOJHUDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C133H144N4O22/c1-9-17-33-89(13-5)81-134-113-53-45-97(121(138)93-37-25-21-26-38-93)73-105(113)109-77-101(49-57-117(109)134)125(142)129(146)156-69-65-150-61-63-152-85-133(87-154-67-71-158-131(148)127(144)103-51-59-119-111(79-103)107-75-99(123(140)95-41-29-23-30-42-95)47-55-115(107)136(119)83-91(15-7)35-19-11-3,88-155-68-72-159-132(149)128(145)104-52-60-120-112(80-104)108-76-100(124(141)96-43-31-24-32-44-96)48-56-116(108)137(120)84-92(16-8)36-20-12-4)86-153-64-62-151-66-70-157-130(147)126(143)102-50-58-118-110(78-102)106-74-98(122(139)94-39-27-22-28-40-94)46-54-114(106)135(118)82-90(14-6)34-18-10-2/h21-32,37-60,73-80,89-92H,9-20,33-36,61-72,81-88H2,1-8H3.

What are the key properties of 2-[2-[3-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]-2-[2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]ethoxymethyl]-2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxymethyl]propoxy]ethoxy]ethyl 2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetate?

2-[2-[3-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]-2-[2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]ethoxymethyl]-2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxymethyl]propoxy]ethoxy]ethyl 2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetate has a molecular weight of 2150.62 g/mol, XLogP of 26.00, 66 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]-2-[2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxy]ethoxymethyl]-2-[2-[2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetyl]oxyethoxymethyl]propoxy]ethoxy]ethyl 2-[6-benzoyl-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetate is sourced from PubChem (CID 89273873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).