2-[8-(2,6-dimethoxyphenoxy)octoxy]-5-[(E)-2-[4-[(E)-2-[4-[8-[4-[(E)-2-[4-[(E)-2-[4-[8-(2,6-dimethoxyphenoxy)octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,6-dimethoxyphenoxy]octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene

C92H114O18 — CID 101038496

IUPAC2-[8-(2,6-dimethoxyphenoxy)octoxy]-5-[(E)-2-[4-[(E)-2-[4-[8-[4-[(E)-2-[4-[(E)-2-[4-[8-(2,6-dimethoxyphenoxy)octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,6-dimethoxyphenoxy]octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1OCCCCCCCCOc1c(OC)cc(/C=C/c2ccc(/C=C/c3cc(OC)c(OCCCCCCCCOc4c(OC)cc(/C=C/c5ccc(/C=C/c6cc(OC)c(OCCCCCCCCOc7c(OC)cccc7OC)c(OC)c6)cc5)cc4OC)c(OC)c3)cc2)cc1OC
InChIInChI=1S/C92H114O18/c1-93-75-33-31-34-76(94-2)87(75)105-53-25-19-13-15-21-27-55-107-89-79(97-5)59-71(60-80(89)98-6)49-45-67-37-41-69(42-38-67)47-51-73-63-83(101-9)91(84(64-73)102-10)109-57-29-23-17-18-24-30-58-110-92-85(103-11)65-74(66-86(92)104-12)52-48-70-43-39-68(40-44-70)46-50-72-61-81(99-7)90(82(62-72)100-8)108-56-28-22-16-14-20-26-54-106-88-77(95-3)35-32-36-78(88)96-4/h31-52,59-66H,13-30,53-58H2,1-12H3/b49-45+,50-46+,51-47+,52-48+
InChIKeyZXVPWGGZWJXFRN-HUJXRBPWSA-N
MW1507.91 g/mol
LogP21.87
Rot. Bonds53

About 2-[8-(2,6-dimethoxyphenoxy)octoxy]-5-[(E)-2-[4-[(E)-2-[4-[8-[4-[(E)-2-[4-[(E)-2-[4-[8-(2,6-dimethoxyphenoxy)octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,6-dimethoxyphenoxy]octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene

2-[8-(2,6-dimethoxyphenoxy)octoxy]-5-[(E)-2-[4-[(E)-2-[4-[8-[4-[(E)-2-[4-[(E)-2-[4-[8-(2,6-dimethoxyphenoxy)octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,6-dimethoxyphenoxy]octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene (PubChem CID 101038496) has the molecular formula C92H114O18 and a molecular weight of 1507.91 g/mol. Its IUPAC name is 2-[8-(2,6-dimethoxyphenoxy)octoxy]-5-[(E)-2-[4-[(E)-2-[4-[8-[4-[(E)-2-[4-[(E)-2-[4-[8-(2,6-dimethoxyphenoxy)octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,6-dimethoxyphenoxy]octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-[8-(2,6-dimethoxyphenoxy)octoxy]-5-[(E)-2-[4-[(E)-2-[4-[8-[4-[(E)-2-[4-[(E)-2-[4-[8-(2,6-dimethoxyphenoxy)octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,6-dimethoxyphenoxy]octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene
PubChem CID101038496
Molecular FormulaC92H114O18
Molecular Weight1507.91 g/mol
Exact Mass1506.80
IUPAC Name2-[8-(2,6-dimethoxyphenoxy)octoxy]-5-[(E)-2-[4-[(E)-2-[4-[8-[4-[(E)-2-[4-[(E)-2-[4-[8-(2,6-dimethoxyphenoxy)octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,6-dimethoxyphenoxy]octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1OCCCCCCCCOc1c(OC)cc(/C=C/c2ccc(/C=C/c3cc(OC)c(OCCCCCCCCOc4c(OC)cc(/C=C/c5ccc(/C=C/c6cc(OC)c(OCCCCCCCCOc7c(OC)cccc7OC)c(OC)c6)cc5)cc4OC)c(OC)c3)cc2)cc1OC
InChIInChI=1S/C92H114O18/c1-93-75-33-31-34-76(94-2)87(75)105-53-25-19-13-15-21-27-55-107-89-79(97-5)59-71(60-80(89)98-6)49-45-67-37-41-69(42-38-67)47-51-73-63-83(101-9)91(84(64-73)102-10)109-57-29-23-17-18-24-30-58-110-92-85(103-11)65-74(66-86(92)104-12)52-48-70-43-39-68(40-44-70)46-50-72-61-81(99-7)90(82(62-72)100-8)108-56-28-22-16-14-20-26-54-106-88-77(95-3)35-32-36-78(88)96-4/h31-52,59-66H,13-30,53-58H2,1-12H3/b49-45+,50-46+,51-47+,52-48+
InChIKeyZXVPWGGZWJXFRN-HUJXRBPWSA-N
XLogP21.87
TPSA166.14 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds53
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001507.91
LogP ≤ 521.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-[8-(2,6-dimethoxyphenoxy)octoxy]-5-[(E)-2-[4-[(E)-2-[4-[8-[4-[(E)-2-[4-[(E)-2-[4-[8-(2,6-dimethoxyphenoxy)octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,6-dimethoxyphenoxy]octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene with MolForge

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Related Compounds

2-[8-(2,6-dimethoxyphenyl)octoxy]-5-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[8-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[8-(2,6-dimethoxyphenyl)octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-2,6-dimethoxyphenoxy]octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene
CID 101038495
6-[2,6-dimethoxy-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenoxy]hexanoic acid
CID 25192213
5-ethenyl-2-[6-(4-ethenyl-2,6-dimethoxyphenoxy)hexoxy]-1,3-dimethoxybenzene
CID 86096018
5-[2-(4-butoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 86208123
4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine
CID 2181134
2-dodecoxy-1-methoxy-3-propoxybenzene
CID 142743634
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832
3-(4-decoxy-3,5-dimethoxyphenyl)prop-2-enoic acid
CID 85358629
5-[(E)-2-(4-butoxyphenyl)ethenyl]-1,2-dimethoxy-3-methylbenzene
CID 144857589
5-(2-bromo-6-methoxyphenoxy)pentane-1-thiol
CID 83134542
3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 5123930
5-(2,6-dimethoxyphenoxy)-N-propylpentan-1-amine
CID 62449814

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2,6-dimethoxyphenoxy)octoxy]-5-[(E)-2-[4-[(E)-2-[4-[8-[4-[(E)-2-[4-[(E)-2-[4-[8-(2,6-dimethoxyphenoxy)octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,6-dimethoxyphenoxy]octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene?
The IUPAC name of 2-[8-(2,6-dimethoxyphenoxy)octoxy]-5-[(E)-2-[4-[(E)-2-[4-[8-[4-[(E)-2-[4-[(E)-2-[4-[8-(2,6-dimethoxyphenoxy)octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,6-dimethoxyphenoxy]octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene (CID 101038496) is 2-[8-(2,6-dimethoxyphenoxy)octoxy]-5-[(E)-2-[4-[(E)-2-[4-[8-[4-[(E)-2-[4-[(E)-2-[4-[8-(2,6-dimethoxyphenoxy)octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,6-dimethoxyphenoxy]octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene.
What is the SMILES notation for 2-[8-(2,6-dimethoxyphenoxy)octoxy]-5-[(E)-2-[4-[(E)-2-[4-[8-[4-[(E)-2-[4-[(E)-2-[4-[8-(2,6-dimethoxyphenoxy)octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,6-dimethoxyphenoxy]octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene?
The canonical SMILES for 2-[8-(2,6-dimethoxyphenoxy)octoxy]-5-[(E)-2-[4-[(E)-2-[4-[8-[4-[(E)-2-[4-[(E)-2-[4-[8-(2,6-dimethoxyphenoxy)octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,6-dimethoxyphenoxy]octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene is COc1cccc(OC)c1OCCCCCCCCOc1c(OC)cc(/C=C/c2ccc(/C=C/c3cc(OC)c(OCCCCCCCCOc4c(OC)cc(/C=C/c5ccc(/C=C/c6cc(OC)c(OCCCCCCCCOc7c(OC)cccc7OC)c(OC)c6)cc5)cc4OC)c(OC)c3)cc2)cc1OC.
What is the InChIKey of 2-[8-(2,6-dimethoxyphenoxy)octoxy]-5-[(E)-2-[4-[(E)-2-[4-[8-[4-[(E)-2-[4-[(E)-2-[4-[8-(2,6-dimethoxyphenoxy)octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,6-dimethoxyphenoxy]octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene?
The InChIKey is ZXVPWGGZWJXFRN-HUJXRBPWSA-N. The full InChI is InChI=1S/C92H114O18/c1-93-75-33-31-34-76(94-2)87(75)105-53-25-19-13-15-21-27-55-107-89-79(97-5)59-71(60-80(89)98-6)49-45-67-37-41-69(42-38-67)47-51-73-63-83(101-9)91(84(64-73)102-10)109-57-29-23-17-18-24-30-58-110-92-85(103-11)65-74(66-86(92)104-12)52-48-70-43-39-68(40-44-70)46-50-72-61-81(99-7)90(82(62-72)100-8)108-56-28-22-16-14-20-26-54-106-88-77(95-3)35-32-36-78(88)96-4/h31-52,59-66H,13-30,53-58H2,1-12H3/b49-45+,50-46+,51-47+,52-48+.
What are the key properties of 2-[8-(2,6-dimethoxyphenoxy)octoxy]-5-[(E)-2-[4-[(E)-2-[4-[8-[4-[(E)-2-[4-[(E)-2-[4-[8-(2,6-dimethoxyphenoxy)octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,6-dimethoxyphenoxy]octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene?
2-[8-(2,6-dimethoxyphenoxy)octoxy]-5-[(E)-2-[4-[(E)-2-[4-[8-[4-[(E)-2-[4-[(E)-2-[4-[8-(2,6-dimethoxyphenoxy)octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,6-dimethoxyphenoxy]octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene has a molecular weight of 1507.91 g/mol, XLogP of 21.87, 53 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2,6-dimethoxyphenoxy)octoxy]-5-[(E)-2-[4-[(E)-2-[4-[8-[4-[(E)-2-[4-[(E)-2-[4-[8-(2,6-dimethoxyphenoxy)octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,6-dimethoxyphenoxy]octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene is sourced from PubChem (CID 101038496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).