[5-[5-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane

C37H34F6S6Si2 — CID 139680274

IUPAC[5-[5-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane
SMILESCc1sc(-c2ccc(-c3ccc([Si](C)(C)C)s3)s2)cc1C1=C(c2cc(-c3ccc(-c4ccc([Si](C)(C)C)s4)s3)sc2C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C37H34F6S6Si2/c1-19-21(17-29(44-19)27-11-9-23(46-27)25-13-15-31(48-25)50(3,4)5)33-34(36(40,41)37(42,43)35(33,38)39)22-18-30(45-20(22)2)28-12-10-24(47-28)26-14-16-32(49-26)51(6,7)8/h9-18H,1-8H3
InChIKeyKFCYVDULLVQFMB-UHFFFAOYSA-N
MW841.24 g/mol
LogP14.26
Rot. Bonds8

About [5-[5-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane

[5-[5-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane (PubChem CID 139680274) has the molecular formula C37H34F6S6Si2 and a molecular weight of 841.24 g/mol. Its IUPAC name is [5-[5-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[5-[5-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane
PubChem CID139680274
Molecular FormulaC37H34F6S6Si2
Molecular Weight841.24 g/mol
Exact Mass840.04
IUPAC Name[5-[5-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane
SMILESCc1sc(-c2ccc(-c3ccc([Si](C)(C)C)s3)s2)cc1C1=C(c2cc(-c3ccc(-c4ccc([Si](C)(C)C)s4)s3)sc2C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C37H34F6S6Si2/c1-19-21(17-29(44-19)27-11-9-23(46-27)25-13-15-31(48-25)50(3,4)5)33-34(36(40,41)37(42,43)35(33,38)39)22-18-30(45-20(22)2)28-12-10-24(47-28)26-14-16-32(49-26)51(6,7)8/h9-18H,1-8H3
InChIKeyKFCYVDULLVQFMB-UHFFFAOYSA-N
XLogP14.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.24
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3,3,4,4,5,5-hexafluoro-2-[5-[5-[5-[5-[5-[4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-phenylthiophene
CID 102279973
[5-[3-[5-[3-[5-[5-[5-[2,5-bis[5-[2,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[5-[2,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylsilane
CID 176528085
3-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-dimethylthiophene
CID 15535876
2-[4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 102162968
benzene;bis(3-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophene)
CID 139145885
triethyl-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]silane
CID 156711255
3-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)thiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)thiophene
CID 102467794
5-[4-(2,4-diphenylphenyl)phenyl]-3-[2-[5-[4-(2,4-diphenylphenyl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene
CID 134393777
(4S)-4-benzyl-2-[4-[2-[5-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-4,5-dihydro-1,3-oxazole
CID 102397916
3-[3,3,4,4,5,5-hexafluoro-2-[2-(trifluoromethyl)phenyl]cyclopenten-1-yl]-2-methyl-5-phenylthiophene
CID 102577266
3-[4-[4-[2-[5-(4-butoxyphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]propan-1-amine
CID 157115961
4-[4-[2-(2-ethyl-1-benzofuran-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 102583654

Frequently Asked Questions

What is the IUPAC name of [5-[5-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane?
The IUPAC name of [5-[5-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane (CID 139680274) is [5-[5-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane.
What is the SMILES notation for [5-[5-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane?
The canonical SMILES for [5-[5-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane is Cc1sc(-c2ccc(-c3ccc([Si](C)(C)C)s3)s2)cc1C1=C(c2cc(-c3ccc(-c4ccc([Si](C)(C)C)s4)s3)sc2C)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of [5-[5-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane?
The InChIKey is KFCYVDULLVQFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34F6S6Si2/c1-19-21(17-29(44-19)27-11-9-23(46-27)25-13-15-31(48-25)50(3,4)5)33-34(36(40,41)37(42,43)35(33,38)39)22-18-30(45-20(22)2)28-12-10-24(47-28)26-14-16-32(49-26)51(6,7)8/h9-18H,1-8H3.
What are the key properties of [5-[5-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane?
[5-[5-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane has a molecular weight of 841.24 g/mol, XLogP of 14.26, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane is sourced from PubChem (CID 139680274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).