6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-2-[2-[6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-3-methyl-1-benzothiophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3-methyl-1-benzothiophene

C73H66F6O14S2 — CID 102089181

IUPAC6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-2-[2-[6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-3-methyl-1-benzothiophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3-methyl-1-benzothiophene
SMILESCOc1cc(COc2cc(OCc3cc(OC)cc(OC)c3)cc(OCc3ccc4c(C)c(C5=C(c6sc7cc(COc8cc(OCc9cc(OC)cc(OC)c9)cc(OCc9cc(OC)cc(OC)c9)c8)ccc7c6C)C(F)(F)C(F)(F)C5(F)F)sc4c3)c2)cc(OC)c1
InChIInChI=1S/C73H66F6O14S2/c1-41-63-13-11-43(35-88-57-29-59(90-37-45-15-49(80-3)25-50(16-45)81-4)33-60(30-57)91-38-46-17-51(82-5)26-52(18-46)83-6)23-65(63)94-69(41)67-68(72(76,77)73(78,79)71(67,74)75)70-42(2)64-14-12-44(24-66(64)95-70)36-89-58-31-61(92-39-47-19-53(84-7)27-54(20-47)85-8)34-62(32-58)93-40-48-21-55(86-9)28-56(22-48)87-10/h11-34H,35-40H2,1-10H3
InChIKeyMKFKDUDZOPFHTA-UHFFFAOYSA-N
MW1345.44 g/mol
LogP18.11
Rot. Bonds28

About 6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-2-[2-[6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-3-methyl-1-benzothiophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3-methyl-1-benzothiophene

6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-2-[2-[6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-3-methyl-1-benzothiophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3-methyl-1-benzothiophene (PubChem CID 102089181) has the molecular formula C73H66F6O14S2 and a molecular weight of 1345.44 g/mol. Its IUPAC name is 6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-2-[2-[6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-3-methyl-1-benzothiophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3-methyl-1-benzothiophene.

Molecular Properties

Compound Name6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-2-[2-[6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-3-methyl-1-benzothiophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3-methyl-1-benzothiophene
PubChem CID102089181
Molecular FormulaC73H66F6O14S2
Molecular Weight1345.44 g/mol
Exact Mass1344.38
IUPAC Name6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-2-[2-[6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-3-methyl-1-benzothiophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3-methyl-1-benzothiophene
SMILESCOc1cc(COc2cc(OCc3cc(OC)cc(OC)c3)cc(OCc3ccc4c(C)c(C5=C(c6sc7cc(COc8cc(OCc9cc(OC)cc(OC)c9)cc(OCc9cc(OC)cc(OC)c9)c8)ccc7c6C)C(F)(F)C(F)(F)C5(F)F)sc4c3)c2)cc(OC)c1
InChIInChI=1S/C73H66F6O14S2/c1-41-63-13-11-43(35-88-57-29-59(90-37-45-15-49(80-3)25-50(16-45)81-4)33-60(30-57)91-38-46-17-51(82-5)26-52(18-46)83-6)23-65(63)94-69(41)67-68(72(76,77)73(78,79)71(67,74)75)70-42(2)64-14-12-44(24-66(64)95-70)36-89-58-31-61(92-39-47-19-53(84-7)27-54(20-47)85-8)34-62(32-58)93-40-48-21-55(86-9)28-56(22-48)87-10/h11-34H,35-40H2,1-10H3
InChIKeyMKFKDUDZOPFHTA-UHFFFAOYSA-N
XLogP18.11
TPSA129.22 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001345.44
LogP ≤ 518.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-2-[2-[6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-3-methyl-1-benzothiophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3-methyl-1-benzothiophene with MolForge

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Related Compounds

2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-1-benzothiophene
CID 102212121
1-[(4-iodophenyl)methoxy]-3,5-dimethoxybenzene
CID 65490326
3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenol
CID 54586280
[3-[(3,4-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine
CID 103566148
[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol
CID 101100720
4-[(3,5-dimethoxyphenoxy)methyl]aniline
CID 43589819
1,4,7-tris[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methyl]-1,4,7-triazonane
CID 100958899
3-[2-[2,5-bis(3,5-dimethoxyphenyl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(3,5-dimethoxyphenyl)thiophene
CID 90389084
2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride
CID 11666965
4-[(4-methoxyphenyl)methoxy]-2,6-dimethylaniline
CID 170076319
3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol
CID 70951574
4-[(3,5-dimethoxyphenoxy)methyl]benzonitrile
CID 7707174

Frequently Asked Questions

What is the IUPAC name of 6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-2-[2-[6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-3-methyl-1-benzothiophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3-methyl-1-benzothiophene?
The IUPAC name of 6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-2-[2-[6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-3-methyl-1-benzothiophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3-methyl-1-benzothiophene (CID 102089181) is 6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-2-[2-[6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-3-methyl-1-benzothiophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3-methyl-1-benzothiophene.
What is the SMILES notation for 6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-2-[2-[6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-3-methyl-1-benzothiophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3-methyl-1-benzothiophene?
The canonical SMILES for 6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-2-[2-[6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-3-methyl-1-benzothiophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3-methyl-1-benzothiophene is COc1cc(COc2cc(OCc3cc(OC)cc(OC)c3)cc(OCc3ccc4c(C)c(C5=C(c6sc7cc(COc8cc(OCc9cc(OC)cc(OC)c9)cc(OCc9cc(OC)cc(OC)c9)c8)ccc7c6C)C(F)(F)C(F)(F)C5(F)F)sc4c3)c2)cc(OC)c1.
What is the InChIKey of 6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-2-[2-[6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-3-methyl-1-benzothiophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3-methyl-1-benzothiophene?
The InChIKey is MKFKDUDZOPFHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H66F6O14S2/c1-41-63-13-11-43(35-88-57-29-59(90-37-45-15-49(80-3)25-50(16-45)81-4)33-60(30-57)91-38-46-17-51(82-5)26-52(18-46)83-6)23-65(63)94-69(41)67-68(72(76,77)73(78,79)71(67,74)75)70-42(2)64-14-12-44(24-66(64)95-70)36-89-58-31-61(92-39-47-19-53(84-7)27-54(20-47)85-8)34-62(32-58)93-40-48-21-55(86-9)28-56(22-48)87-10/h11-34H,35-40H2,1-10H3.
What are the key properties of 6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-2-[2-[6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-3-methyl-1-benzothiophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3-methyl-1-benzothiophene?
6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-2-[2-[6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-3-methyl-1-benzothiophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3-methyl-1-benzothiophene has a molecular weight of 1345.44 g/mol, XLogP of 18.11, 28 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-2-[2-[6-[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenoxy]methyl]-3-methyl-1-benzothiophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3-methyl-1-benzothiophene is sourced from PubChem (CID 102089181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).