2-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]phenyl]phenoxy]-N-(pyren-1-ylmethyl)acetamide

C92H129NO27 — CID 102577709

IUPAC2-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]phenyl]phenoxy]-N-(pyren-1-ylmethyl)acetamide
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(-c2ccc(-c3ccc(-c4ccc(OCC(=O)NCc5ccc6ccc7cccc8ccc5c6c78)cc4)cc3)cc2)cc1
InChIInChI=1S/C92H129NO27/c1-95-27-28-96-29-30-97-31-32-98-33-34-99-35-36-100-37-38-101-39-40-102-41-42-103-43-44-104-45-46-105-47-48-106-49-50-107-51-52-108-53-54-109-55-56-110-57-58-111-59-60-112-61-62-113-63-64-114-65-66-115-67-68-116-69-70-117-71-72-118-73-74-119-87-22-17-81(18-23-87)79-9-5-77(6-10-79)78-7-11-80(12-8-78)82-19-24-88(25-20-82)120-76-90(94)93-75-86-16-15-85-14-13-83-3-2-4-84-21-26-89(86)92(85)91(83)84/h2-26H,27-76H2,1H3,(H,93,94)
InChIKeyVDCYTQJWGIWKSR-UHFFFAOYSA-N
MW1681.02 g/mol
LogP10.69
Rot. Bonds81

About 2-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]phenyl]phenoxy]-N-(pyren-1-ylmethyl)acetamide

2-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]phenyl]phenoxy]-N-(pyren-1-ylmethyl)acetamide (PubChem CID 102577709) has the molecular formula C92H129NO27 and a molecular weight of 1681.02 g/mol. Its IUPAC name is 2-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]phenyl]phenoxy]-N-(pyren-1-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]phenyl]phenoxy]-N-(pyren-1-ylmethyl)acetamide
PubChem CID102577709
Molecular FormulaC92H129NO27
Molecular Weight1681.02 g/mol
Exact Mass1679.88
IUPAC Name2-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]phenyl]phenoxy]-N-(pyren-1-ylmethyl)acetamide
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(-c2ccc(-c3ccc(-c4ccc(OCC(=O)NCc5ccc6ccc7cccc8ccc5c6c78)cc4)cc3)cc2)cc1
InChIInChI=1S/C92H129NO27/c1-95-27-28-96-29-30-97-31-32-98-33-34-99-35-36-100-37-38-101-39-40-102-41-42-103-43-44-104-45-46-105-47-48-106-49-50-107-51-52-108-53-54-109-55-56-110-57-58-111-59-60-112-61-62-113-63-64-114-65-66-115-67-68-116-69-70-117-71-72-118-73-74-119-87-22-17-81(18-23-87)79-9-5-77(6-10-79)78-7-11-80(12-8-78)82-19-24-88(25-20-82)120-76-90(94)93-75-86-16-15-85-14-13-83-3-2-4-84-21-26-89(86)92(85)91(83)84/h2-26H,27-76H2,1H3,(H,93,94)
InChIKeyVDCYTQJWGIWKSR-UHFFFAOYSA-N
XLogP10.69
TPSA269.08 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds81
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001681.02
LogP ≤ 510.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]phenyl]phenoxy]-N-(pyren-1-ylmethyl)acetamide with MolForge

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Related Compounds

2-(4-methoxyphenoxy)-N-(naphthalen-1-ylmethyl)acetamide
CID 95945546
4-pyren-1-yl-N-[3-[2-[3-(4-pyren-1-ylbutanoylamino)propoxy]ethoxy]propyl]butanamide
CID 90292871
[4-(4-pyren-1-ylbutoxy)phenyl]phosphonic acid
CID 146652352
2-[[34,35-dihydroxy-36-[2-oxo-2-(pyren-1-ylmethylamino)ethoxy]-7,15,23,31-tetraphenyl-3,11,19,27-tetraoxapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(32),5,7,9(36),13,15,17(35),21(34),22,24,29(33),30-dodecaen-33-yl]oxy]-N-(pyren-1-ylmethyl)acetamide
CID 177451392
N-(pyren-1-ylmethyl)hexanamide
CID 146294504
trihydroxy-[4-(pyren-1-ylmethylcarbamoyl)phenyl]boranuide
CID 132503233
N-propan-2-yl-2-pyren-1-ylacetamide
CID 59310583
[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid
CID 170306694
2-naphthalen-1-yl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide
CID 4513399
N-(2-methoxyethyl)-2-[(2-naphthalen-2-yloxyacetyl)amino]acetamide
CID 24517119
N-[(4-methoxyphenyl)methyl]-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetamide
CID 48502857
N-[(3-methoxyphenyl)methyl]-2-(4-phenylphenoxy)acetamide
CID 9495681

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]phenyl]phenoxy]-N-(pyren-1-ylmethyl)acetamide?
The IUPAC name of 2-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]phenyl]phenoxy]-N-(pyren-1-ylmethyl)acetamide (CID 102577709) is 2-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]phenyl]phenoxy]-N-(pyren-1-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]phenyl]phenoxy]-N-(pyren-1-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]phenyl]phenoxy]-N-(pyren-1-ylmethyl)acetamide is COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(-c2ccc(-c3ccc(-c4ccc(OCC(=O)NCc5ccc6ccc7cccc8ccc5c6c78)cc4)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]phenyl]phenoxy]-N-(pyren-1-ylmethyl)acetamide?
The InChIKey is VDCYTQJWGIWKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H129NO27/c1-95-27-28-96-29-30-97-31-32-98-33-34-99-35-36-100-37-38-101-39-40-102-41-42-103-43-44-104-45-46-105-47-48-106-49-50-107-51-52-108-53-54-109-55-56-110-57-58-111-59-60-112-61-62-113-63-64-114-65-66-115-67-68-116-69-70-117-71-72-118-73-74-119-87-22-17-81(18-23-87)79-9-5-77(6-10-79)78-7-11-80(12-8-78)82-19-24-88(25-20-82)120-76-90(94)93-75-86-16-15-85-14-13-83-3-2-4-84-21-26-89(86)92(85)91(83)84/h2-26H,27-76H2,1H3,(H,93,94).
What are the key properties of 2-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]phenyl]phenoxy]-N-(pyren-1-ylmethyl)acetamide?
2-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]phenyl]phenoxy]-N-(pyren-1-ylmethyl)acetamide has a molecular weight of 1681.02 g/mol, XLogP of 10.69, 81 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]phenyl]phenoxy]-N-(pyren-1-ylmethyl)acetamide is sourced from PubChem (CID 102577709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).