triethyl-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]silane

C32H30F6S2Si — CID 156711255

IUPACtriethyl-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]silane
SMILESCC[Si](CC)(CC)c1sc(-c2ccccc2)cc1C1=C(c2cc(-c3ccccc3)sc2C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C32H30F6S2Si/c1-5-41(6-2,7-3)29-24(19-26(40-29)22-16-12-9-13-17-22)28-27(30(33,34)32(37,38)31(28,35)36)23-18-25(39-20(23)4)21-14-10-8-11-15-21/h8-19H,5-7H2,1-4H3
InChIKeyRWCUVUBVHJKDAC-UHFFFAOYSA-N
MW620.80 g/mol
LogP11.00
Rot. Bonds8

About triethyl-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]silane

triethyl-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]silane (PubChem CID 156711255) has the molecular formula C32H30F6S2Si and a molecular weight of 620.80 g/mol. Its IUPAC name is triethyl-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]silane.

Molecular Properties

Compound Nametriethyl-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]silane
PubChem CID156711255
Molecular FormulaC32H30F6S2Si
Molecular Weight620.80 g/mol
Exact Mass620.15
IUPAC Nametriethyl-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]silane
SMILESCC[Si](CC)(CC)c1sc(-c2ccccc2)cc1C1=C(c2cc(-c3ccccc3)sc2C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C32H30F6S2Si/c1-5-41(6-2,7-3)29-24(19-26(40-29)22-16-12-9-13-17-22)28-27(30(33,34)32(37,38)31(28,35)36)23-18-25(39-20(23)4)21-14-10-8-11-15-21/h8-19H,5-7H2,1-4H3
InChIKeyRWCUVUBVHJKDAC-UHFFFAOYSA-N
XLogP11.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.80
LogP ≤ 511.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]silane?
The IUPAC name of 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) is triethyl-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]silane.
What is the SMILES notation for triethyl-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]silane?
The canonical SMILES for triethyl-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]silane is CC[Si](CC)(CC)c1sc(-c2ccccc2)cc1C1=C(c2cc(-c3ccccc3)sc2C)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of triethyl-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]silane?
The InChIKey is RWCUVUBVHJKDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F6S2Si/c1-5-41(6-2,7-3)29-24(19-26(40-29)22-16-12-9-13-17-22)28-27(30(33,34)32(37,38)31(28,35)36)23-18-25(39-20(23)4)21-14-10-8-11-15-21/h8-19H,5-7H2,1-4H3.
What are the key properties of triethyl-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]silane?
triethyl-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]silane has a molecular weight of 620.80 g/mol, XLogP of 11.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]silane is sourced from PubChem (CID 156711255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).