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

C64H76F6N2S6 — CID 159205253

IUPACethane;2-methyl-5-thiophen-2-ylthiophene;2-methyl-3-[4-(trifluoromethyl)phenyl]pyridine;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-(3,4,5-trifluorophenyl)pyridine
SMILESCC.CC.CC.CC.CC.CCCCCc1ccc(-c2cccs2)s1.Cc1ccc(-c2cccs2)s1.Cc1ncccc1-c1ccc(C(F)(F)F)cc1.Fc1cc(-c2cccnc2)cc(F)c1F.c1csc(-c2cccs2)c1
InChIInChI=1S/C13H10F3N.C13H16S2.C11H6F3N.C9H8S2.C8H6S2.5C2H6/c1-9-12(3-2-8-17-9)10-4-6-11(7-5-10)13(14,15)16;1-2-3-4-6-11-8-9-13(15-11)12-7-5-10-14-12;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/h2-8H,1H3;5,7-10H,2-4,6H2,1H3;1-6H;2-6H,1H3;1-6H;5*1-2H3
InChIKeyKPUJQCNXNRFXQD-UHFFFAOYSA-N
MW1179.72 g/mol
LogP24.84
Rot. Bonds9

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

ethane;2-methyl-5-thiophen-2-ylthiophene;2-methyl-3-[4-(trifluoromethyl)phenyl]pyridine;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-(3,4,5-trifluorophenyl)pyridine (PubChem CID 159205253) has the molecular formula C64H76F6N2S6 and a molecular weight of 1179.72 g/mol. Its IUPAC name is ethane;2-methyl-5-thiophen-2-ylthiophene;2-methyl-3-[4-(trifluoromethyl)phenyl]pyridine;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-(3,4,5-trifluorophenyl)pyridine.

Molecular Properties

Compound Nameethane;2-methyl-5-thiophen-2-ylthiophene;2-methyl-3-[4-(trifluoromethyl)phenyl]pyridine;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-(3,4,5-trifluorophenyl)pyridine
PubChem CID159205253
Molecular FormulaC64H76F6N2S6
Molecular Weight1179.72 g/mol
Exact Mass1178.42
IUPAC Nameethane;2-methyl-5-thiophen-2-ylthiophene;2-methyl-3-[4-(trifluoromethyl)phenyl]pyridine;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-(3,4,5-trifluorophenyl)pyridine
SMILESCC.CC.CC.CC.CC.CCCCCc1ccc(-c2cccs2)s1.Cc1ccc(-c2cccs2)s1.Cc1ncccc1-c1ccc(C(F)(F)F)cc1.Fc1cc(-c2cccnc2)cc(F)c1F.c1csc(-c2cccs2)c1
InChIInChI=1S/C13H10F3N.C13H16S2.C11H6F3N.C9H8S2.C8H6S2.5C2H6/c1-9-12(3-2-8-17-9)10-4-6-11(7-5-10)13(14,15)16;1-2-3-4-6-11-8-9-13(15-11)12-7-5-10-14-12;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/h2-8H,1H3;5,7-10H,2-4,6H2,1H3;1-6H;2-6H,1H3;1-6H;5*1-2H3
InChIKeyKPUJQCNXNRFXQD-UHFFFAOYSA-N
XLogP24.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001179.72
LogP ≤ 524.84
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-methyl-3-[4-(trifluoromethyl)phenyl]pyridine;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-(3,4,5-trifluorophenyl)pyridine with MolForge

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Related Compounds

2-Pyridin-4-yl-4,6-dithiophen-2-ylpyridine
CID 16750521
2-Pyridin-2-yl-6-thiophen-2-yl-4-thiophen-3-ylpyridine
CID 44423804
2-Pyridin-4-yl-6-thiophen-2-yl-4-thiophen-3-ylpyridine
CID 44423805
2-Pyridin-4-yl-4-thiophen-2-yl-6-thiophen-3-ylpyridine
CID 44423832
2-Pyridin-4-yl-4,6-di(thiophen-3-yl)pyridine
CID 44423833
2-Pyridin-3-yl-6-thiophen-2-yl-4-thiophen-3-ylpyridine
CID 44423835
4,4'-Bis(5-hexyl-2-thienyl)-2,2'-bipyridyl
CID 58489257
4-Pyridin-2-yl-2,6-dithiophen-2-ylpyridine
CID 44276046
1,2-Bis(2-methyl-5-(4-pyridyl)-3-thienyl)perfluorocyclopentene
CID 12108137
1,2-Bis[2-methyl-5-(2-pyridyl)-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopentene
CID 101338868
2,5-Bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine
CID 101376445
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

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-thiophen-2-ylthiophene;2-methyl-3-[4-(trifluoromethyl)phenyl]pyridine;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-(3,4,5-trifluorophenyl)pyridine?
The IUPAC name of ethane;2-methyl-5-thiophen-2-ylthiophene;2-methyl-3-[4-(trifluoromethyl)phenyl]pyridine;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-(3,4,5-trifluorophenyl)pyridine (CID 159205253) is ethane;2-methyl-5-thiophen-2-ylthiophene;2-methyl-3-[4-(trifluoromethyl)phenyl]pyridine;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-(3,4,5-trifluorophenyl)pyridine.
What is the SMILES notation for ethane;2-methyl-5-thiophen-2-ylthiophene;2-methyl-3-[4-(trifluoromethyl)phenyl]pyridine;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-(3,4,5-trifluorophenyl)pyridine?
The canonical SMILES for ethane;2-methyl-5-thiophen-2-ylthiophene;2-methyl-3-[4-(trifluoromethyl)phenyl]pyridine;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-(3,4,5-trifluorophenyl)pyridine is CC.CC.CC.CC.CC.CCCCCc1ccc(-c2cccs2)s1.Cc1ccc(-c2cccs2)s1.Cc1ncccc1-c1ccc(C(F)(F)F)cc1.Fc1cc(-c2cccnc2)cc(F)c1F.c1csc(-c2cccs2)c1.
What is the InChIKey of ethane;2-methyl-5-thiophen-2-ylthiophene;2-methyl-3-[4-(trifluoromethyl)phenyl]pyridine;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-(3,4,5-trifluorophenyl)pyridine?
The InChIKey is KPUJQCNXNRFXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N.C13H16S2.C11H6F3N.C9H8S2.C8H6S2.5C2H6/c1-9-12(3-2-8-17-9)10-4-6-11(7-5-10)13(14,15)16;1-2-3-4-6-11-8-9-13(15-11)12-7-5-10-14-12;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/h2-8H,1H3;5,7-10H,2-4,6H2,1H3;1-6H;2-6H,1H3;1-6H;5*1-2H3.
What are the key properties of ethane;2-methyl-5-thiophen-2-ylthiophene;2-methyl-3-[4-(trifluoromethyl)phenyl]pyridine;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-(3,4,5-trifluorophenyl)pyridine?
ethane;2-methyl-5-thiophen-2-ylthiophene;2-methyl-3-[4-(trifluoromethyl)phenyl]pyridine;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-(3,4,5-trifluorophenyl)pyridine has a molecular weight of 1179.72 g/mol, XLogP of 24.84, 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-methyl-3-[4-(trifluoromethyl)phenyl]pyridine;2-pentyl-5-thiophen-2-ylthiophene;2-thiophen-2-ylthiophene;3-(3,4,5-trifluorophenyl)pyridine is sourced from PubChem (CID 159205253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).