ethane;2-methyl-5-thiophen-2-ylthiophene;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-[4-(trifluoromethyl)phenyl]pyridine;3-(3,4,5-trifluorophenyl)pyridine

C63H74F6N2S6 — CID 161325138

IUPACethane;2-methyl-5-thiophen-2-ylthiophene;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-[4-(trifluoromethyl)phenyl]pyridine;3-(3,4,5-trifluorophenyl)pyridine
SMILESCC.CC.CC.CC.CC.CCCCCc1ccc(-c2cccs2)s1.Cc1ccc(-c2cccs2)s1.FC(F)(F)c1ccc(-c2cccnc2)cc1.Fc1cc(-c2cccnc2)cc(F)c1F.c1csc(-c2cccs2)c1
InChIInChI=1S/C13H16S2.C12H8F3N.C11H6F3N.C9H8S2.C8H6S2.5C2H6/c1-2-3-4-6-11-8-9-13(15-11)12-7-5-10-14-12;13-12(14,15)11-5-3-9(4-6-11)10-2-1-7-16-8-10;12-9-4-8(5-10(13)11(9)14)7-2-1-3-15-6-7;1-7-4-5-9(11-7)8-3-2-6-10-8;1-3-7(9-5-1)8-4-2-6-10-8;5*1-2/h5,7-10H,2-4,6H2,1H3;1-8H;1-6H;2-6H,1H3;1-6H;5*1-2H3
InChIKeyVKQYCAWCJDIUDH-UHFFFAOYSA-N
MW1165.69 g/mol
LogP24.54
Rot. Bonds9

About ethane;2-methyl-5-thiophen-2-ylthiophene;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-[4-(trifluoromethyl)phenyl]pyridine;3-(3,4,5-trifluorophenyl)pyridine

ethane;2-methyl-5-thiophen-2-ylthiophene;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-[4-(trifluoromethyl)phenyl]pyridine;3-(3,4,5-trifluorophenyl)pyridine (PubChem CID 161325138) has the molecular formula C63H74F6N2S6 and a molecular weight of 1165.69 g/mol. Its IUPAC name is ethane;2-methyl-5-thiophen-2-ylthiophene;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-[4-(trifluoromethyl)phenyl]pyridine;3-(3,4,5-trifluorophenyl)pyridine.

Molecular Properties

Compound Nameethane;2-methyl-5-thiophen-2-ylthiophene;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-[4-(trifluoromethyl)phenyl]pyridine;3-(3,4,5-trifluorophenyl)pyridine
PubChem CID161325138
Molecular FormulaC63H74F6N2S6
Molecular Weight1165.69 g/mol
Exact Mass1164.41
IUPAC Nameethane;2-methyl-5-thiophen-2-ylthiophene;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-[4-(trifluoromethyl)phenyl]pyridine;3-(3,4,5-trifluorophenyl)pyridine
SMILESCC.CC.CC.CC.CC.CCCCCc1ccc(-c2cccs2)s1.Cc1ccc(-c2cccs2)s1.FC(F)(F)c1ccc(-c2cccnc2)cc1.Fc1cc(-c2cccnc2)cc(F)c1F.c1csc(-c2cccs2)c1
InChIInChI=1S/C13H16S2.C12H8F3N.C11H6F3N.C9H8S2.C8H6S2.5C2H6/c1-2-3-4-6-11-8-9-13(15-11)12-7-5-10-14-12;13-12(14,15)11-5-3-9(4-6-11)10-2-1-7-16-8-10;12-9-4-8(5-10(13)11(9)14)7-2-1-3-15-6-7;1-7-4-5-9(11-7)8-3-2-6-10-8;1-3-7(9-5-1)8-4-2-6-10-8;5*1-2/h5,7-10H,2-4,6H2,1H3;1-8H;1-6H;2-6H,1H3;1-6H;5*1-2H3
InChIKeyVKQYCAWCJDIUDH-UHFFFAOYSA-N
XLogP24.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001165.69
LogP ≤ 524.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze ethane;2-methyl-5-thiophen-2-ylthiophene;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-[4-(trifluoromethyl)phenyl]pyridine;3-(3,4,5-trifluorophenyl)pyridine with MolForge

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Related Compounds

2,3,5,6-Tetrafluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridine
CID 118911846
1,2-Bis(2-methyl-5-(4-pyridyl)-3-thienyl)perfluorocyclopentene
CID 12108137
1-(2-Methyl-5-phenyl-3-thienyl)-2-(2-methyl-5-(4-pyridyl)-3-thienyl)perfluorocyclopentene
CID 5246538
1,2-Bis[2-methyl-5-(2-pyridyl)-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopentene
CID 101338868
4-[5-[(E)-2-[2-[4-[(E)-2-[5-[4-(dimethylamino)phenyl]-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]-N,N-dimethylaniline
CID 101484664
4-[2-[3-[3,3,4,4,5,5-Hexafluoro-2-[5-phenyl-2-(2-pyridin-4-ylethynyl)thiophen-3-yl]cyclopenten-1-yl]-5-phenylthiophen-2-yl]ethynyl]pyridine
CID 102089211
4-[4-[3,3,4,4,5,5-Hexafluoro-2-[2-methyl-5-(2-methyl-4-pyridinyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-2-methylpyridine
CID 102108113
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-[2-[3-[3,3,4,4,5,5-Hexafluoro-2-[2-[2-(1-methylpyridin-1-ium-4-yl)ethynyl]-5-phenylthiophen-3-yl]cyclopenten-1-yl]-5-phenylthiophen-2-yl]ethynyl]-1-methylpyridin-1-ium dihexafluorophosphate
CID 139038694
zinc;bis(4-[4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine);bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
CID 139130038
2,5-Bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine
CID 139179947
1,2-Bis(5-(4-pyridyl)-2-methyl-3-thienyl)hexafluorocyclopentene
CID 139185087

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-thiophen-2-ylthiophene;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-[4-(trifluoromethyl)phenyl]pyridine;3-(3,4,5-trifluorophenyl)pyridine?
The IUPAC name of ethane;2-methyl-5-thiophen-2-ylthiophene;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-[4-(trifluoromethyl)phenyl]pyridine;3-(3,4,5-trifluorophenyl)pyridine (CID 161325138) is ethane;2-methyl-5-thiophen-2-ylthiophene;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-[4-(trifluoromethyl)phenyl]pyridine;3-(3,4,5-trifluorophenyl)pyridine.
What is the SMILES notation for ethane;2-methyl-5-thiophen-2-ylthiophene;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-[4-(trifluoromethyl)phenyl]pyridine;3-(3,4,5-trifluorophenyl)pyridine?
The canonical SMILES for ethane;2-methyl-5-thiophen-2-ylthiophene;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-[4-(trifluoromethyl)phenyl]pyridine;3-(3,4,5-trifluorophenyl)pyridine is CC.CC.CC.CC.CC.CCCCCc1ccc(-c2cccs2)s1.Cc1ccc(-c2cccs2)s1.FC(F)(F)c1ccc(-c2cccnc2)cc1.Fc1cc(-c2cccnc2)cc(F)c1F.c1csc(-c2cccs2)c1.
What is the InChIKey of ethane;2-methyl-5-thiophen-2-ylthiophene;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-[4-(trifluoromethyl)phenyl]pyridine;3-(3,4,5-trifluorophenyl)pyridine?
The InChIKey is VKQYCAWCJDIUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16S2.C12H8F3N.C11H6F3N.C9H8S2.C8H6S2.5C2H6/c1-2-3-4-6-11-8-9-13(15-11)12-7-5-10-14-12;13-12(14,15)11-5-3-9(4-6-11)10-2-1-7-16-8-10;12-9-4-8(5-10(13)11(9)14)7-2-1-3-15-6-7;1-7-4-5-9(11-7)8-3-2-6-10-8;1-3-7(9-5-1)8-4-2-6-10-8;5*1-2/h5,7-10H,2-4,6H2,1H3;1-8H;1-6H;2-6H,1H3;1-6H;5*1-2H3.
What are the key properties of ethane;2-methyl-5-thiophen-2-ylthiophene;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-[4-(trifluoromethyl)phenyl]pyridine;3-(3,4,5-trifluorophenyl)pyridine?
ethane;2-methyl-5-thiophen-2-ylthiophene;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-[4-(trifluoromethyl)phenyl]pyridine;3-(3,4,5-trifluorophenyl)pyridine has a molecular weight of 1165.69 g/mol, XLogP of 24.54, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-thiophen-2-ylthiophene;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-[4-(trifluoromethyl)phenyl]pyridine;3-(3,4,5-trifluorophenyl)pyridine is sourced from PubChem (CID 161325138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).