2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-[2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalene

C52H54O10 — CID 102084471

IUPAC2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-[2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalene
SMILESC#Cc1ccc(OCCOCCOCCOCCOc2ccc3ccccc3c2-c2c(OCCOCCOCCOCCOc3ccc(C#C)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C52H54O10/c1-3-41-13-19-45(20-14-41)59-37-33-55-29-25-53-27-31-57-35-39-61-49-23-17-43-9-5-7-11-47(43)51(49)52-48-12-8-6-10-44(48)18-24-50(52)62-40-36-58-32-28-54-26-30-56-34-38-60-46-21-15-42(4-2)16-22-46/h1-2,5-24H,25-40H2
InChIKeyCTUFGRULXAILBS-UHFFFAOYSA-N
MW838.99 g/mol
LogP8.64
Rot. Bonds29

About 2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-[2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalene

2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-[2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalene (PubChem CID 102084471) has the molecular formula C52H54O10 and a molecular weight of 838.99 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-[2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalene.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-[2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalene
PubChem CID102084471
Molecular FormulaC52H54O10
Molecular Weight838.99 g/mol
Exact Mass838.37
IUPAC Name2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-[2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalene
SMILESC#Cc1ccc(OCCOCCOCCOCCOc2ccc3ccccc3c2-c2c(OCCOCCOCCOCCOc3ccc(C#C)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C52H54O10/c1-3-41-13-19-45(20-14-41)59-37-33-55-29-25-53-27-31-57-35-39-61-49-23-17-43-9-5-7-11-47(43)51(49)52-48-12-8-6-10-44(48)18-24-50(52)62-40-36-58-32-28-54-26-30-56-34-38-60-46-21-15-42(4-2)16-22-46/h1-2,5-24H,25-40H2
InChIKeyCTUFGRULXAILBS-UHFFFAOYSA-N
XLogP8.64
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds29
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.99
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethoxy]ethoxy]ethanol
CID 12994977
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CID 12994979
2-prop-2-ynoxy-1-(2-prop-2-ynoxynaphthalen-1-yl)naphthalene
CID 11175897
1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]naphthalene
CID 2283150
4-[4-[11-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]benzonitrile
CID 53496140
1-[2-(2-butoxyethoxy)ethoxy]-4-[2-(4-ethynylphenyl)ethynyl]benzene
CID 23626178
1-[2-[4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]naphthalen-2-ol
CID 12008941
2-[1-[2-(2-methoxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol
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CID 178028126
[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]-[1-[2-[[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]diazenyl]naphthalen-1-yl]naphthalen-2-yl]diazene
CID 102112802
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CID 61483476

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-[2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalene?
The IUPAC name of 2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-[2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalene (CID 102084471) is 2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-[2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalene.
What is the SMILES notation for 2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-[2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalene?
The canonical SMILES for 2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-[2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalene is C#Cc1ccc(OCCOCCOCCOCCOc2ccc3ccccc3c2-c2c(OCCOCCOCCOCCOc3ccc(C#C)cc3)ccc3ccccc23)cc1.
What is the InChIKey of 2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-[2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalene?
The InChIKey is CTUFGRULXAILBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H54O10/c1-3-41-13-19-45(20-14-41)59-37-33-55-29-25-53-27-31-57-35-39-61-49-23-17-43-9-5-7-11-47(43)51(49)52-48-12-8-6-10-44(48)18-24-50(52)62-40-36-58-32-28-54-26-30-56-34-38-60-46-21-15-42(4-2)16-22-46/h1-2,5-24H,25-40H2.
What are the key properties of 2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-[2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalene?
2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-[2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalene has a molecular weight of 838.99 g/mol, XLogP of 8.64, 29 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-[2-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalene is sourced from PubChem (CID 102084471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).