1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)thiophen-2-yl]ethanone;1-(5-naphthalen-1-ylthiophen-2-yl)ethanone;1-(5-naphthalen-2-ylthiophen-2-yl)ethanone;1-(5-quinolin-4-ylthiophen-2-yl)ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-yl]ethanone;1-[5-(2,4,5-trimethylphenyl)thiophen-2-yl]ethanone;1-[5-(2,4,6-trimethylphenyl)thiophen-2-yl]ethanone

C123H111NO10S8 — CID 164989236

IUPAC1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)thiophen-2-yl]ethanone;1-(5-naphthalen-1-ylthiophen-2-yl)ethanone;1-(5-naphthalen-2-ylthiophen-2-yl)ethanone;1-(5-quinolin-4-ylthiophen-2-yl)ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-yl]ethanone;1-[5-(2,4,5-trimethylphenyl)thiophen-2-yl]ethanone;1-[5-(2,4,6-trimethylphenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2c(C)cc(C)cc2C)s1.CC(=O)c1ccc(-c2cc(C)c(C)cc2C)s1.CC(=O)c1ccc(-c2ccc3c(c2)CCCC3)s1.CC(=O)c1ccc(-c2ccc3ccccc3c2)s1.CC(=O)c1ccc(-c2cccc3c2CCCC3)s1.CC(=O)c1ccc(-c2cccc3c2OCCO3)s1.CC(=O)c1ccc(-c2cccc3ccccc23)s1.CC(=O)c1ccc(-c2ccnc3ccccc23)s1
InChIInChI=1S/C16H16OS.C16H12OS.C16H16OS.C16H12OS.C15H11NOS.2C15H16OS.C14H12O3S/c2*1-11(17)15-9-10-16(18-15)14-8-4-6-12-5-2-3-7-13(12)14;2*1-11(17)15-8-9-16(18-15)14-7-6-12-4-2-3-5-13(12)10-14;1-10(17)14-6-7-15(18-14)12-8-9-16-13-5-3-2-4-11(12)13;1-9-7-11(3)13(8-10(9)2)15-6-5-14(17-15)12(4)16;1-9-7-10(2)15(11(3)8-9)14-6-5-13(17-14)12(4)16;1-9(15)12-5-6-13(18-12)10-3-2-4-11-14(10)17-8-7-16-11/h4,6,8-10H,2-3,5,7H2,1H3;2-10H,1H3;6-10H,2-5H2,1H3;2-10H,1H3;2-9H,1H3;2*5-8H,1-4H3;2-6H,7-8H2,1H3
InChIKeyGPQYBOCNOLIYGZ-UHFFFAOYSA-N
MW2019.77 g/mol
LogP35.18
Rot. Bonds16

About 1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)thiophen-2-yl]ethanone;1-(5-naphthalen-1-ylthiophen-2-yl)ethanone;1-(5-naphthalen-2-ylthiophen-2-yl)ethanone;1-(5-quinolin-4-ylthiophen-2-yl)ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-yl]ethanone;1-[5-(2,4,5-trimethylphenyl)thiophen-2-yl]ethanone;1-[5-(2,4,6-trimethylphenyl)thiophen-2-yl]ethanone

1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)thiophen-2-yl]ethanone;1-(5-naphthalen-1-ylthiophen-2-yl)ethanone;1-(5-naphthalen-2-ylthiophen-2-yl)ethanone;1-(5-quinolin-4-ylthiophen-2-yl)ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-yl]ethanone;1-[5-(2,4,5-trimethylphenyl)thiophen-2-yl]ethanone;1-[5-(2,4,6-trimethylphenyl)thiophen-2-yl]ethanone (PubChem CID 164989236) has the molecular formula C123H111NO10S8 and a molecular weight of 2019.77 g/mol. Its IUPAC name is 1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)thiophen-2-yl]ethanone;1-(5-naphthalen-1-ylthiophen-2-yl)ethanone;1-(5-naphthalen-2-ylthiophen-2-yl)ethanone;1-(5-quinolin-4-ylthiophen-2-yl)ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-yl]ethanone;1-[5-(2,4,5-trimethylphenyl)thiophen-2-yl]ethanone;1-[5-(2,4,6-trimethylphenyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)thiophen-2-yl]ethanone;1-(5-naphthalen-1-ylthiophen-2-yl)ethanone;1-(5-naphthalen-2-ylthiophen-2-yl)ethanone;1-(5-quinolin-4-ylthiophen-2-yl)ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-yl]ethanone;1-[5-(2,4,5-trimethylphenyl)thiophen-2-yl]ethanone;1-[5-(2,4,6-trimethylphenyl)thiophen-2-yl]ethanone
PubChem CID164989236
Molecular FormulaC123H111NO10S8
Molecular Weight2019.77 g/mol
Exact Mass2017.60
IUPAC Name1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)thiophen-2-yl]ethanone;1-(5-naphthalen-1-ylthiophen-2-yl)ethanone;1-(5-naphthalen-2-ylthiophen-2-yl)ethanone;1-(5-quinolin-4-ylthiophen-2-yl)ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-yl]ethanone;1-[5-(2,4,5-trimethylphenyl)thiophen-2-yl]ethanone;1-[5-(2,4,6-trimethylphenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2c(C)cc(C)cc2C)s1.CC(=O)c1ccc(-c2cc(C)c(C)cc2C)s1.CC(=O)c1ccc(-c2ccc3c(c2)CCCC3)s1.CC(=O)c1ccc(-c2ccc3ccccc3c2)s1.CC(=O)c1ccc(-c2cccc3c2CCCC3)s1.CC(=O)c1ccc(-c2cccc3c2OCCO3)s1.CC(=O)c1ccc(-c2cccc3ccccc23)s1.CC(=O)c1ccc(-c2ccnc3ccccc23)s1
InChIInChI=1S/C16H16OS.C16H12OS.C16H16OS.C16H12OS.C15H11NOS.2C15H16OS.C14H12O3S/c2*1-11(17)15-9-10-16(18-15)14-8-4-6-12-5-2-3-7-13(12)14;2*1-11(17)15-8-9-16(18-15)14-7-6-12-4-2-3-5-13(12)10-14;1-10(17)14-6-7-15(18-14)12-8-9-16-13-5-3-2-4-11(12)13;1-9-7-11(3)13(8-10(9)2)15-6-5-14(17-15)12(4)16;1-9-7-10(2)15(11(3)8-9)14-6-5-13(17-14)12(4)16;1-9(15)12-5-6-13(18-12)10-3-2-4-11-14(10)17-8-7-16-11/h4,6,8-10H,2-3,5,7H2,1H3;2-10H,1H3;6-10H,2-5H2,1H3;2-10H,1H3;2-9H,1H3;2*5-8H,1-4H3;2-6H,7-8H2,1H3
InChIKeyGPQYBOCNOLIYGZ-UHFFFAOYSA-N
XLogP35.18
TPSA167.91 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002019.77
LogP ≤ 535.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)thiophen-2-yl]ethanone;1-(5-naphthalen-1-ylthiophen-2-yl)ethanone;1-(5-naphthalen-2-ylthiophen-2-yl)ethanone;1-(5-quinolin-4-ylthiophen-2-yl)ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-yl]ethanone;1-[5-(2,4,5-trimethylphenyl)thiophen-2-yl]ethanone;1-[5-(2,4,6-trimethylphenyl)thiophen-2-yl]ethanone with MolForge

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Related Compounds

2-(2-Acetylthieno[2,3-c]pyridin-4-yl)benzonitrile;4-(2-acetylthieno[2,3-c]pyridin-4-yl)-2-fluorobenzonitrile;1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)thieno[2,3-c]pyridin-2-yl]ethanone;1-[4-[4-(dimethylamino)phenyl]thieno[2,3-c]pyridin-2-yl]ethanone;1-[4-(4-ethoxyphenyl)thieno[2,3-c]pyridin-2-yl]ethanone;methane;1-[4-(4-phenoxyphenyl)thieno[2,3-c]pyridin-2-yl]ethanone;1-(4-quinolin-3-ylthieno[2,3-c]pyridin-2-yl)ethanone;1-[4-[2-(trifluoromethoxy)phenyl]thieno[2,3-c]pyridin-2-yl]ethanone
CID 157956291
8-[15,15-Bis(1-benzofuran-2-yl)-22-(1-benzothiophen-2-yl)-5,5,25,25-tetramethyl-8-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaenyl]quinoline
CID 59413470
7-[5-[2-[7-[2-[4-(7aH-indol-3-yl)naphthalen-1-yl]ethenyl]-9-(3-methylbutan-2-yl)dibenzothiophen-3-yl]ethenyl]-8-indol-1-ium-3-yl-3-methyl-3,4-dihydronaphthalen-1-yl]-1-[4-[2-[7-[2-[4-(2-methyl-3H-isoquinolin-1-yl)phenyl]ethenyl]dibenzofuran-3-yl]ethenyl]phenyl]isoquinoline
CID 91803545
20-Dibenzofuran-2-yl-18-methyl-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 123339731
20-Dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
CID 123443425
12-Dibenzothiophen-4-yl-23-oxa-4-azahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 123893745
8-[4-[10-(9-Oxa-14-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)anthracen-9-yl]phenyl]quinoline
CID 124097760
3-[2-(1-Benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-4-(furan-3-yl)-5-naphthalen-2-ylphenyl]isoquinoline
CID 141151579
10-[6-(4-Dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]benzo[h]quinoline
CID 146300906
10-(4-Dibenzofuran-3-yldibenzothiophen-2-yl)benzo[h]quinoline
CID 146301044
10-[1-(6-Phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]benzo[h]quinoline
CID 146301048
10-(8-Dibenzofuran-2-yldibenzothiophen-2-yl)benzo[h]quinoline
CID 146301051

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)thiophen-2-yl]ethanone;1-(5-naphthalen-1-ylthiophen-2-yl)ethanone;1-(5-naphthalen-2-ylthiophen-2-yl)ethanone;1-(5-quinolin-4-ylthiophen-2-yl)ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-yl]ethanone;1-[5-(2,4,5-trimethylphenyl)thiophen-2-yl]ethanone;1-[5-(2,4,6-trimethylphenyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)thiophen-2-yl]ethanone;1-(5-naphthalen-1-ylthiophen-2-yl)ethanone;1-(5-naphthalen-2-ylthiophen-2-yl)ethanone;1-(5-quinolin-4-ylthiophen-2-yl)ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-yl]ethanone;1-[5-(2,4,5-trimethylphenyl)thiophen-2-yl]ethanone;1-[5-(2,4,6-trimethylphenyl)thiophen-2-yl]ethanone (CID 164989236) is 1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)thiophen-2-yl]ethanone;1-(5-naphthalen-1-ylthiophen-2-yl)ethanone;1-(5-naphthalen-2-ylthiophen-2-yl)ethanone;1-(5-quinolin-4-ylthiophen-2-yl)ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-yl]ethanone;1-[5-(2,4,5-trimethylphenyl)thiophen-2-yl]ethanone;1-[5-(2,4,6-trimethylphenyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)thiophen-2-yl]ethanone;1-(5-naphthalen-1-ylthiophen-2-yl)ethanone;1-(5-naphthalen-2-ylthiophen-2-yl)ethanone;1-(5-quinolin-4-ylthiophen-2-yl)ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-yl]ethanone;1-[5-(2,4,5-trimethylphenyl)thiophen-2-yl]ethanone;1-[5-(2,4,6-trimethylphenyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)thiophen-2-yl]ethanone;1-(5-naphthalen-1-ylthiophen-2-yl)ethanone;1-(5-naphthalen-2-ylthiophen-2-yl)ethanone;1-(5-quinolin-4-ylthiophen-2-yl)ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-yl]ethanone;1-[5-(2,4,5-trimethylphenyl)thiophen-2-yl]ethanone;1-[5-(2,4,6-trimethylphenyl)thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2c(C)cc(C)cc2C)s1.CC(=O)c1ccc(-c2cc(C)c(C)cc2C)s1.CC(=O)c1ccc(-c2ccc3c(c2)CCCC3)s1.CC(=O)c1ccc(-c2ccc3ccccc3c2)s1.CC(=O)c1ccc(-c2cccc3c2CCCC3)s1.CC(=O)c1ccc(-c2cccc3c2OCCO3)s1.CC(=O)c1ccc(-c2cccc3ccccc23)s1.CC(=O)c1ccc(-c2ccnc3ccccc23)s1.
What is the InChIKey of 1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)thiophen-2-yl]ethanone;1-(5-naphthalen-1-ylthiophen-2-yl)ethanone;1-(5-naphthalen-2-ylthiophen-2-yl)ethanone;1-(5-quinolin-4-ylthiophen-2-yl)ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-yl]ethanone;1-[5-(2,4,5-trimethylphenyl)thiophen-2-yl]ethanone;1-[5-(2,4,6-trimethylphenyl)thiophen-2-yl]ethanone?
The InChIKey is GPQYBOCNOLIYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16OS.C16H12OS.C16H16OS.C16H12OS.C15H11NOS.2C15H16OS.C14H12O3S/c2*1-11(17)15-9-10-16(18-15)14-8-4-6-12-5-2-3-7-13(12)14;2*1-11(17)15-8-9-16(18-15)14-7-6-12-4-2-3-5-13(12)10-14;1-10(17)14-6-7-15(18-14)12-8-9-16-13-5-3-2-4-11(12)13;1-9-7-11(3)13(8-10(9)2)15-6-5-14(17-15)12(4)16;1-9-7-10(2)15(11(3)8-9)14-6-5-13(17-14)12(4)16;1-9(15)12-5-6-13(18-12)10-3-2-4-11-14(10)17-8-7-16-11/h4,6,8-10H,2-3,5,7H2,1H3;2-10H,1H3;6-10H,2-5H2,1H3;2-10H,1H3;2-9H,1H3;2*5-8H,1-4H3;2-6H,7-8H2,1H3.
What are the key properties of 1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)thiophen-2-yl]ethanone;1-(5-naphthalen-1-ylthiophen-2-yl)ethanone;1-(5-naphthalen-2-ylthiophen-2-yl)ethanone;1-(5-quinolin-4-ylthiophen-2-yl)ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-yl]ethanone;1-[5-(2,4,5-trimethylphenyl)thiophen-2-yl]ethanone;1-[5-(2,4,6-trimethylphenyl)thiophen-2-yl]ethanone?
1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)thiophen-2-yl]ethanone;1-(5-naphthalen-1-ylthiophen-2-yl)ethanone;1-(5-naphthalen-2-ylthiophen-2-yl)ethanone;1-(5-quinolin-4-ylthiophen-2-yl)ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-yl]ethanone;1-[5-(2,4,5-trimethylphenyl)thiophen-2-yl]ethanone;1-[5-(2,4,6-trimethylphenyl)thiophen-2-yl]ethanone has a molecular weight of 2019.77 g/mol, XLogP of 35.18, 16 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)thiophen-2-yl]ethanone;1-(5-naphthalen-1-ylthiophen-2-yl)ethanone;1-(5-naphthalen-2-ylthiophen-2-yl)ethanone;1-(5-quinolin-4-ylthiophen-2-yl)ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophen-2-yl]ethanone;1-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-yl]ethanone;1-[5-(2,4,5-trimethylphenyl)thiophen-2-yl]ethanone;1-[5-(2,4,6-trimethylphenyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 164989236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).