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

C33H34F6S2 — CID 102467794

IUPAC3-[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
SMILESCC1=C(C)C(C)C(c2cc(C3=C(c4cc(C5=C(C)C(C)=C(C)C5C)sc4C)C(F)(F)C(F)(F)C3(F)F)c(C)s2)=C1C
InChIInChI=1S/C33H34F6S2/c1-13-14(2)18(6)27(17(13)5)25-11-23(21(9)40-25)29-30(32(36,37)33(38,39)31(29,34)35)24-12-26(41-22(24)10)28-19(7)15(3)16(4)20(28)8/h11-12,17,19H,1-10H3
InChIKeyMLNZEFRKCGZSOO-UHFFFAOYSA-N
MW608.76 g/mol
LogP11.78
Rot. Bonds4

About 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

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 (PubChem CID 102467794) has the molecular formula C33H34F6S2 and a molecular weight of 608.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID102467794
Molecular FormulaC33H34F6S2
Molecular Weight608.76 g/mol
Exact Mass608.20
IUPAC Name3-[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
SMILESCC1=C(C)C(C)C(c2cc(C3=C(c4cc(C5=C(C)C(C)=C(C)C5C)sc4C)C(F)(F)C(F)(F)C3(F)F)c(C)s2)=C1C
InChIInChI=1S/C33H34F6S2/c1-13-14(2)18(6)27(17(13)5)25-11-23(21(9)40-25)29-30(32(36,37)33(38,39)31(29,34)35)24-12-26(41-22(24)10)28-19(7)15(3)16(4)20(28)8/h11-12,17,19H,1-10H3
InChIKeyMLNZEFRKCGZSOO-UHFFFAOYSA-N
XLogP11.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.76
LogP ≤ 511.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

3-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-dimethylthiophene
CID 15535876
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
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-[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
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
3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopentene-1-carbaldehyde
CID 59420013
3-[3,3,4,4,5,5-hexafluoro-2-[2-(trifluoromethyl)phenyl]cyclopenten-1-yl]-2-methyl-5-phenylthiophene
CID 102577266
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
[4-[4-[2-[5-[4-(aminomethyl)phenyl]-2,4-dimethylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]methanamine
CID 151297106
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
bis(4-[2-(5-carboxy-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophene-2-carboxylic acid);propan-2-one
CID 139069760
2-(4-tert-butylphenyl)-5-(4-chlorophenyl)-3-[2-[5-(4-chlorophenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophene
CID 146357100

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=C(C)C(C)C(c2cc(C3=C(c4cc(C5=C(C)C(C)=C(C)C5C)sc4C)C(F)(F)C(F)(F)C3(F)F)c(C)s2)=C1C.
What is the InChIKey of 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?
The InChIKey is MLNZEFRKCGZSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F6S2/c1-13-14(2)18(6)27(17(13)5)25-11-23(21(9)40-25)29-30(32(36,37)33(38,39)31(29,34)35)24-12-26(41-22(24)10)28-19(7)15(3)16(4)20(28)8/h11-12,17,19H,1-10H3.
What are the key properties of 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?
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 has a molecular weight of 608.76 g/mol, XLogP of 11.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 102467794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).