ethane;2-(5-fluorofuran-3-yl)-1H-pyrrole;2-(5-hexylthiophen-2-yl)-1H-pyrrole;2-(5-methylthiophen-2-yl)-1H-pyrrole;2-(5-pentylthiophen-2-yl)-1H-pyrrole;2-thiophen-2-yl-1H-pyrrole

C62H88FN5OS4 — CID 159046440

IUPACethane;2-(5-fluorofuran-3-yl)-1H-pyrrole;2-(5-hexylthiophen-2-yl)-1H-pyrrole;2-(5-methylthiophen-2-yl)-1H-pyrrole;2-(5-pentylthiophen-2-yl)-1H-pyrrole;2-thiophen-2-yl-1H-pyrrole
SMILESCC.CC.CC.CC.CC.CCCCCCc1ccc(-c2ccc[nH]2)s1.CCCCCc1ccc(-c2ccc[nH]2)s1.Cc1ccc(-c2ccc[nH]2)s1.Fc1cc(-c2ccc[nH]2)co1.c1c[nH]c(-c2cccs2)c1
InChIInChI=1S/C14H19NS.C13H17NS.C9H9NS.C8H6FNO.C8H7NS.5C2H6/c1-2-3-4-5-7-12-9-10-14(16-12)13-8-6-11-15-13;1-2-3-4-6-11-8-9-13(15-11)12-7-5-10-14-12;1-7-4-5-9(11-7)8-3-2-6-10-8;9-8-4-6(5-11-8)7-2-1-3-10-7;1-3-7(9-5-1)8-4-2-6-10-8;5*1-2/h6,8-11,15H,2-5,7H2,1H3;5,7-10,14H,2-4,6H2,1H3;2-6,10H,1H3;1-5,10H;1-6,9H;5*1-2H3
InChIKeyJWSFYSQBYMJLLJ-UHFFFAOYSA-N
MW1066.69 g/mol
LogP22.68
Rot. Bonds14

About ethane;2-(5-fluorofuran-3-yl)-1H-pyrrole;2-(5-hexylthiophen-2-yl)-1H-pyrrole;2-(5-methylthiophen-2-yl)-1H-pyrrole;2-(5-pentylthiophen-2-yl)-1H-pyrrole;2-thiophen-2-yl-1H-pyrrole

ethane;2-(5-fluorofuran-3-yl)-1H-pyrrole;2-(5-hexylthiophen-2-yl)-1H-pyrrole;2-(5-methylthiophen-2-yl)-1H-pyrrole;2-(5-pentylthiophen-2-yl)-1H-pyrrole;2-thiophen-2-yl-1H-pyrrole (PubChem CID 159046440) has the molecular formula C62H88FN5OS4 and a molecular weight of 1066.69 g/mol. Its IUPAC name is ethane;2-(5-fluorofuran-3-yl)-1H-pyrrole;2-(5-hexylthiophen-2-yl)-1H-pyrrole;2-(5-methylthiophen-2-yl)-1H-pyrrole;2-(5-pentylthiophen-2-yl)-1H-pyrrole;2-thiophen-2-yl-1H-pyrrole.

Molecular Properties

Compound Nameethane;2-(5-fluorofuran-3-yl)-1H-pyrrole;2-(5-hexylthiophen-2-yl)-1H-pyrrole;2-(5-methylthiophen-2-yl)-1H-pyrrole;2-(5-pentylthiophen-2-yl)-1H-pyrrole;2-thiophen-2-yl-1H-pyrrole
PubChem CID159046440
Molecular FormulaC62H88FN5OS4
Molecular Weight1066.69 g/mol
Exact Mass1065.59
IUPAC Nameethane;2-(5-fluorofuran-3-yl)-1H-pyrrole;2-(5-hexylthiophen-2-yl)-1H-pyrrole;2-(5-methylthiophen-2-yl)-1H-pyrrole;2-(5-pentylthiophen-2-yl)-1H-pyrrole;2-thiophen-2-yl-1H-pyrrole
SMILESCC.CC.CC.CC.CC.CCCCCCc1ccc(-c2ccc[nH]2)s1.CCCCCc1ccc(-c2ccc[nH]2)s1.Cc1ccc(-c2ccc[nH]2)s1.Fc1cc(-c2ccc[nH]2)co1.c1c[nH]c(-c2cccs2)c1
InChIInChI=1S/C14H19NS.C13H17NS.C9H9NS.C8H6FNO.C8H7NS.5C2H6/c1-2-3-4-5-7-12-9-10-14(16-12)13-8-6-11-15-13;1-2-3-4-6-11-8-9-13(15-11)12-7-5-10-14-12;1-7-4-5-9(11-7)8-3-2-6-10-8;9-8-4-6(5-11-8)7-2-1-3-10-7;1-3-7(9-5-1)8-4-2-6-10-8;5*1-2/h6,8-11,15H,2-5,7H2,1H3;5,7-10,14H,2-4,6H2,1H3;2-6,10H,1H3;1-5,10H;1-6,9H;5*1-2H3
InChIKeyJWSFYSQBYMJLLJ-UHFFFAOYSA-N
XLogP22.68
TPSA92.09 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001066.69
LogP ≤ 522.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethane;2-(5-fluorofuran-3-yl)-1H-pyrrole;2-(5-hexylthiophen-2-yl)-1H-pyrrole;2-(5-methylthiophen-2-yl)-1H-pyrrole;2-(5-pentylthiophen-2-yl)-1H-pyrrole;2-thiophen-2-yl-1H-pyrrole with MolForge

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Related Compounds

2-(5-hexylthiophen-2-yl)-1H-pyrrole
CID 129149292
ethane;2-(5-fluorofuran-3-yl)-1H-pyrrole;2-(5-methylfuran-3-yl)-1H-pyrrole
CID 161400922
bis[5-[5-[bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-methylsilyl]thiophen-2-yl]thiophen-2-yl]-methyl-(5-thiophen-2-ylthiophen-2-yl)silane
CID 102519870
5-decyl-2-methylthieno[3,2-b]thiophene;2-methyl-5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophene;2-methylthiophene
CID 160895933
2,3-bis(5-hexylthiophen-2-yl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene
CID 102394967
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
2-(8-bromooctyl)-5-thiophen-2-ylthiophene
CID 11013746
2-hexyl-5-[2,3,5,6-tetrafluoro-4-(5-hexylthiophen-2-yl)phenyl]thiophene
CID 102511967
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628
[9-[dimethyl(octyl)silyl]-2-[5-[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)fluoren-9-yl]-dimethyl-octylsilane
CID 59806443
2-hexyl-5-[6-(5-hexylthiophen-2-yl)anthracen-2-yl]thiophene
CID 59695623
2-bromo-3-(5-dodecylthiophen-2-yl)thiophene
CID 69300952

Frequently Asked Questions

What is the IUPAC name of ethane;2-(5-fluorofuran-3-yl)-1H-pyrrole;2-(5-hexylthiophen-2-yl)-1H-pyrrole;2-(5-methylthiophen-2-yl)-1H-pyrrole;2-(5-pentylthiophen-2-yl)-1H-pyrrole;2-thiophen-2-yl-1H-pyrrole?
The IUPAC name of ethane;2-(5-fluorofuran-3-yl)-1H-pyrrole;2-(5-hexylthiophen-2-yl)-1H-pyrrole;2-(5-methylthiophen-2-yl)-1H-pyrrole;2-(5-pentylthiophen-2-yl)-1H-pyrrole;2-thiophen-2-yl-1H-pyrrole (CID 159046440) is ethane;2-(5-fluorofuran-3-yl)-1H-pyrrole;2-(5-hexylthiophen-2-yl)-1H-pyrrole;2-(5-methylthiophen-2-yl)-1H-pyrrole;2-(5-pentylthiophen-2-yl)-1H-pyrrole;2-thiophen-2-yl-1H-pyrrole.
What is the SMILES notation for ethane;2-(5-fluorofuran-3-yl)-1H-pyrrole;2-(5-hexylthiophen-2-yl)-1H-pyrrole;2-(5-methylthiophen-2-yl)-1H-pyrrole;2-(5-pentylthiophen-2-yl)-1H-pyrrole;2-thiophen-2-yl-1H-pyrrole?
The canonical SMILES for ethane;2-(5-fluorofuran-3-yl)-1H-pyrrole;2-(5-hexylthiophen-2-yl)-1H-pyrrole;2-(5-methylthiophen-2-yl)-1H-pyrrole;2-(5-pentylthiophen-2-yl)-1H-pyrrole;2-thiophen-2-yl-1H-pyrrole is CC.CC.CC.CC.CC.CCCCCCc1ccc(-c2ccc[nH]2)s1.CCCCCc1ccc(-c2ccc[nH]2)s1.Cc1ccc(-c2ccc[nH]2)s1.Fc1cc(-c2ccc[nH]2)co1.c1c[nH]c(-c2cccs2)c1.
What is the InChIKey of ethane;2-(5-fluorofuran-3-yl)-1H-pyrrole;2-(5-hexylthiophen-2-yl)-1H-pyrrole;2-(5-methylthiophen-2-yl)-1H-pyrrole;2-(5-pentylthiophen-2-yl)-1H-pyrrole;2-thiophen-2-yl-1H-pyrrole?
The InChIKey is JWSFYSQBYMJLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS.C13H17NS.C9H9NS.C8H6FNO.C8H7NS.5C2H6/c1-2-3-4-5-7-12-9-10-14(16-12)13-8-6-11-15-13;1-2-3-4-6-11-8-9-13(15-11)12-7-5-10-14-12;1-7-4-5-9(11-7)8-3-2-6-10-8;9-8-4-6(5-11-8)7-2-1-3-10-7;1-3-7(9-5-1)8-4-2-6-10-8;5*1-2/h6,8-11,15H,2-5,7H2,1H3;5,7-10,14H,2-4,6H2,1H3;2-6,10H,1H3;1-5,10H;1-6,9H;5*1-2H3.
What are the key properties of ethane;2-(5-fluorofuran-3-yl)-1H-pyrrole;2-(5-hexylthiophen-2-yl)-1H-pyrrole;2-(5-methylthiophen-2-yl)-1H-pyrrole;2-(5-pentylthiophen-2-yl)-1H-pyrrole;2-thiophen-2-yl-1H-pyrrole?
ethane;2-(5-fluorofuran-3-yl)-1H-pyrrole;2-(5-hexylthiophen-2-yl)-1H-pyrrole;2-(5-methylthiophen-2-yl)-1H-pyrrole;2-(5-pentylthiophen-2-yl)-1H-pyrrole;2-thiophen-2-yl-1H-pyrrole has a molecular weight of 1066.69 g/mol, XLogP of 22.68, 14 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(5-fluorofuran-3-yl)-1H-pyrrole;2-(5-hexylthiophen-2-yl)-1H-pyrrole;2-(5-methylthiophen-2-yl)-1H-pyrrole;2-(5-pentylthiophen-2-yl)-1H-pyrrole;2-thiophen-2-yl-1H-pyrrole is sourced from PubChem (CID 159046440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).