5-[[4-[1,1-bis[4-[[3,4,5-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-1,2,3-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]benzene

C113H180O39 — CID 25148927

IUPAC5-[[4-[1,1-bis[4-[[3,4,5-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-1,2,3-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]benzene
SMILESCCOCCOCCOCCOc1cc(COc2ccc(C(C)(c3ccc(OCc4cc(OCCOCCOCCOCC)c(OCCOCCOCCOCC)c(OCCOCCOCCOCC)c4)cc3)c3ccc(OCc4cc(OCCOCCOCCOCC)c(OCCOCCOCCOCC)c(OCCOCCOCCOCC)c4)cc3)cc2)cc(OCCOCCOCCOCC)c1OCCOCCOCCOCC
InChIInChI=1S/C113H180O39/c1-11-114-32-41-123-50-59-132-68-77-141-104-86-95(87-105(142-78-69-133-60-51-124-42-33-115-12-2)110(104)147-83-74-138-65-56-129-47-38-120-17-7)92-150-101-26-20-98(21-27-101)113(10,99-22-28-102(29-23-99)151-93-96-88-106(143-79-70-134-61-52-125-43-34-116-13-3)111(148-84-75-139-66-57-130-48-39-121-18-8)107(89-96)144-80-71-135-62-53-126-44-35-117-14-4)100-24-30-103(31-25-100)152-94-97-90-108(145-81-72-136-63-54-127-45-36-118-15-5)112(149-85-76-140-67-58-131-49-40-122-19-9)109(91-97)146-82-73-137-64-55-128-46-37-119-16-6/h20-31,86-91H,11-19,32-85,92-94H2,1-10H3
InChIKeyMQBBUDNPGLICOW-UHFFFAOYSA-N
MW2162.64 g/mol
LogP13.81
Rot. Bonds111

About 5-[[4-[1,1-bis[4-[[3,4,5-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-1,2,3-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]benzene

5-[[4-[1,1-bis[4-[[3,4,5-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-1,2,3-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]benzene (PubChem CID 25148927) has the molecular formula C113H180O39 and a molecular weight of 2162.64 g/mol. Its IUPAC name is 5-[[4-[1,1-bis[4-[[3,4,5-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-1,2,3-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name5-[[4-[1,1-bis[4-[[3,4,5-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-1,2,3-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]benzene
PubChem CID25148927
Molecular FormulaC113H180O39
Molecular Weight2162.64 g/mol
Exact Mass2161.21
IUPAC Name5-[[4-[1,1-bis[4-[[3,4,5-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-1,2,3-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]benzene
SMILESCCOCCOCCOCCOc1cc(COc2ccc(C(C)(c3ccc(OCc4cc(OCCOCCOCCOCC)c(OCCOCCOCCOCC)c(OCCOCCOCCOCC)c4)cc3)c3ccc(OCc4cc(OCCOCCOCCOCC)c(OCCOCCOCCOCC)c(OCCOCCOCCOCC)c4)cc3)cc2)cc(OCCOCCOCCOCC)c1OCCOCCOCCOCC
InChIInChI=1S/C113H180O39/c1-11-114-32-41-123-50-59-132-68-77-141-104-86-95(87-105(142-78-69-133-60-51-124-42-33-115-12-2)110(104)147-83-74-138-65-56-129-47-38-120-17-7)92-150-101-26-20-98(21-27-101)113(10,99-22-28-102(29-23-99)151-93-96-88-106(143-79-70-134-61-52-125-43-34-116-13-3)111(148-84-75-139-66-57-130-48-39-121-18-8)107(89-96)144-80-71-135-62-53-126-44-35-117-14-4)100-24-30-103(31-25-100)152-94-97-90-108(145-81-72-136-63-54-127-45-36-118-15-5)112(149-85-76-140-67-58-131-49-40-122-19-9)109(91-97)146-82-73-137-64-55-128-46-37-119-16-6/h20-31,86-91H,11-19,32-85,92-94H2,1-10H3
InChIKeyMQBBUDNPGLICOW-UHFFFAOYSA-N
XLogP13.81
TPSA359.97 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds111
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002162.64
LogP ≤ 513.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 5-[[4-[1,1-bis[4-[[3,4,5-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-1,2,3-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]benzene with MolForge

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Related Compounds

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2-[2-[4-[2-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
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2,4,6-tris[4-[(3,4,5-trihexoxyphenyl)methoxy]phenyl]-1,3,5-triazine
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[3-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]phenyl]methoxy]-5-[[3,4,5-tris[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methanol
CID 89084248
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CID 70366041
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CID 158192508
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CID 17112795
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CID 175125117
4-(2-ethoxyethoxy)-N-ethylaniline
CID 54801151
methyl 3,5-bis[[3,4,5-tris[2-(2-methoxyethoxy)ethoxy]phenyl]methoxy]-4-[[3,4,5-tris[[3,4,5-tris[2-(2-methoxyethoxy)ethoxy]phenyl]methoxy]phenyl]methoxy]benzoate
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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[1,1-bis[4-[[3,4,5-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-1,2,3-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]benzene?
The IUPAC name of 5-[[4-[1,1-bis[4-[[3,4,5-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-1,2,3-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]benzene (CID 25148927) is 5-[[4-[1,1-bis[4-[[3,4,5-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-1,2,3-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]benzene.
What is the SMILES notation for 5-[[4-[1,1-bis[4-[[3,4,5-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-1,2,3-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]benzene?
The canonical SMILES for 5-[[4-[1,1-bis[4-[[3,4,5-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-1,2,3-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]benzene is CCOCCOCCOCCOc1cc(COc2ccc(C(C)(c3ccc(OCc4cc(OCCOCCOCCOCC)c(OCCOCCOCCOCC)c(OCCOCCOCCOCC)c4)cc3)c3ccc(OCc4cc(OCCOCCOCCOCC)c(OCCOCCOCCOCC)c(OCCOCCOCCOCC)c4)cc3)cc2)cc(OCCOCCOCCOCC)c1OCCOCCOCCOCC.
What is the InChIKey of 5-[[4-[1,1-bis[4-[[3,4,5-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-1,2,3-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]benzene?
The InChIKey is MQBBUDNPGLICOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C113H180O39/c1-11-114-32-41-123-50-59-132-68-77-141-104-86-95(87-105(142-78-69-133-60-51-124-42-33-115-12-2)110(104)147-83-74-138-65-56-129-47-38-120-17-7)92-150-101-26-20-98(21-27-101)113(10,99-22-28-102(29-23-99)151-93-96-88-106(143-79-70-134-61-52-125-43-34-116-13-3)111(148-84-75-139-66-57-130-48-39-121-18-8)107(89-96)144-80-71-135-62-53-126-44-35-117-14-4)100-24-30-103(31-25-100)152-94-97-90-108(145-81-72-136-63-54-127-45-36-118-15-5)112(149-85-76-140-67-58-131-49-40-122-19-9)109(91-97)146-82-73-137-64-55-128-46-37-119-16-6/h20-31,86-91H,11-19,32-85,92-94H2,1-10H3.
What are the key properties of 5-[[4-[1,1-bis[4-[[3,4,5-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-1,2,3-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]benzene?
5-[[4-[1,1-bis[4-[[3,4,5-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-1,2,3-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]benzene has a molecular weight of 2162.64 g/mol, XLogP of 13.81, 111 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[1,1-bis[4-[[3,4,5-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-1,2,3-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]benzene is sourced from PubChem (CID 25148927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).