ethane;1-methoxythieno[2,3-b][1]benzofuran;2-methoxythieno[2,3-b][1]benzofuran;1-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;2-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;7-(3-phenylphenyl)thieno[2,3-b][1]benzofuran;7-phenylthieno[2,3-b][1]benzofuran;2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine;thieno[2,3-b][1]benzofuran

C153H115NO14S10 — CID 161376531

IUPACethane;1-methoxythieno[2,3-b][1]benzofuran;2-methoxythieno[2,3-b][1]benzofuran;1-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;2-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;7-(3-phenylphenyl)thieno[2,3-b][1]benzofuran;7-phenylthieno[2,3-b][1]benzofuran;2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine;thieno[2,3-b][1]benzofuran
SMILESCC.CC.CC.CC.COc1cc2c(oc3ccc(-c4cccc(-c5ccc6oc7sccc7c6c5)c4)cc32)s1.COc1cc2c(oc3ccccc32)s1.COc1csc2oc3ccc(-c4cccc(-c5ccc6oc7sccc7c6c5)c4)cc3c12.COc1csc2oc3ccccc3c12.c1ccc(-c2cc(-c3ccc4oc5sccc5c4c3)ccn2)cc1.c1ccc(-c2ccc3oc4sccc4c3c2)cc1.c1ccc(-c2cccc(-c3ccc4oc5sccc5c4c3)c2)cc1.c1ccc2c(c1)oc1sccc12
InChIInChI=1S/2C27H16O3S2.C22H14OS.C21H13NOS.C16H10OS.2C11H8O2S.C10H6OS.4C2H6/c1-28-25-14-22-21-13-18(6-8-24(21)30-27(22)32-25)16-4-2-3-15(11-16)17-5-7-23-20(12-17)19-9-10-31-26(19)29-23;1-28-24-14-32-27-25(24)21-13-18(6-8-23(21)30-27)16-4-2-3-15(11-16)17-5-7-22-20(12-17)19-9-10-31-26(19)29-22;1-2-5-15(6-3-1)16-7-4-8-17(13-16)18-9-10-21-20(14-18)19-11-12-24-22(19)23-21;1-2-4-14(5-3-1)19-13-16(8-10-22-19)15-6-7-20-18(12-15)17-9-11-24-21(17)23-20;1-2-4-11(5-3-1)12-6-7-15-14(10-12)13-8-9-18-16(13)17-15;1-12-10-6-8-7-4-2-3-5-9(7)13-11(8)14-10;1-12-9-6-14-11-10(9)7-4-2-3-5-8(7)13-11;1-2-4-9-7(3-1)8-5-6-12-10(8)11-9;4*1-2/h2*2-14H,1H3;1-14H;1-13H;1-10H;2*2-6H,1H3;1-6H;4*1-2H3
InChIKeyVRDQPTPEWFCYJJ-UHFFFAOYSA-N
MW2512.27 g/mol
LogP51.64
Rot. Bonds13

About ethane;1-methoxythieno[2,3-b][1]benzofuran;2-methoxythieno[2,3-b][1]benzofuran;1-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;2-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;7-(3-phenylphenyl)thieno[2,3-b][1]benzofuran;7-phenylthieno[2,3-b][1]benzofuran;2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine;thieno[2,3-b][1]benzofuran

ethane;1-methoxythieno[2,3-b][1]benzofuran;2-methoxythieno[2,3-b][1]benzofuran;1-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;2-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;7-(3-phenylphenyl)thieno[2,3-b][1]benzofuran;7-phenylthieno[2,3-b][1]benzofuran;2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine;thieno[2,3-b][1]benzofuran (PubChem CID 161376531) has the molecular formula C153H115NO14S10 and a molecular weight of 2512.27 g/mol. Its IUPAC name is ethane;1-methoxythieno[2,3-b][1]benzofuran;2-methoxythieno[2,3-b][1]benzofuran;1-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;2-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;7-(3-phenylphenyl)thieno[2,3-b][1]benzofuran;7-phenylthieno[2,3-b][1]benzofuran;2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine;thieno[2,3-b][1]benzofuran.

Molecular Properties

Compound Nameethane;1-methoxythieno[2,3-b][1]benzofuran;2-methoxythieno[2,3-b][1]benzofuran;1-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;2-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;7-(3-phenylphenyl)thieno[2,3-b][1]benzofuran;7-phenylthieno[2,3-b][1]benzofuran;2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine;thieno[2,3-b][1]benzofuran
PubChem CID161376531
Molecular FormulaC153H115NO14S10
Molecular Weight2512.27 g/mol
Exact Mass2509.55
IUPAC Nameethane;1-methoxythieno[2,3-b][1]benzofuran;2-methoxythieno[2,3-b][1]benzofuran;1-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;2-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;7-(3-phenylphenyl)thieno[2,3-b][1]benzofuran;7-phenylthieno[2,3-b][1]benzofuran;2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine;thieno[2,3-b][1]benzofuran
SMILESCC.CC.CC.CC.COc1cc2c(oc3ccc(-c4cccc(-c5ccc6oc7sccc7c6c5)c4)cc32)s1.COc1cc2c(oc3ccccc32)s1.COc1csc2oc3ccc(-c4cccc(-c5ccc6oc7sccc7c6c5)c4)cc3c12.COc1csc2oc3ccccc3c12.c1ccc(-c2cc(-c3ccc4oc5sccc5c4c3)ccn2)cc1.c1ccc(-c2ccc3oc4sccc4c3c2)cc1.c1ccc(-c2cccc(-c3ccc4oc5sccc5c4c3)c2)cc1.c1ccc2c(c1)oc1sccc12
InChIInChI=1S/2C27H16O3S2.C22H14OS.C21H13NOS.C16H10OS.2C11H8O2S.C10H6OS.4C2H6/c1-28-25-14-22-21-13-18(6-8-24(21)30-27(22)32-25)16-4-2-3-15(11-16)17-5-7-23-20(12-17)19-9-10-31-26(19)29-23;1-28-24-14-32-27-25(24)21-13-18(6-8-23(21)30-27)16-4-2-3-15(11-16)17-5-7-22-20(12-17)19-9-10-31-26(19)29-22;1-2-5-15(6-3-1)16-7-4-8-17(13-16)18-9-10-21-20(14-18)19-11-12-24-22(19)23-21;1-2-4-14(5-3-1)19-13-16(8-10-22-19)15-6-7-20-18(12-15)17-9-11-24-21(17)23-20;1-2-4-11(5-3-1)12-6-7-15-14(10-12)13-8-9-18-16(13)17-15;1-12-10-6-8-7-4-2-3-5-9(7)13-11(8)14-10;1-12-9-6-14-11-10(9)7-4-2-3-5-8(7)13-11;1-2-4-9-7(3-1)8-5-6-12-10(8)11-9;4*1-2/h2*2-14H,1H3;1-14H;1-13H;1-10H;2*2-6H,1H3;1-6H;4*1-2H3
InChIKeyVRDQPTPEWFCYJJ-UHFFFAOYSA-N
XLogP51.64
TPSA181.21 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds13
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002512.27
LogP ≤ 551.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze ethane;1-methoxythieno[2,3-b][1]benzofuran;2-methoxythieno[2,3-b][1]benzofuran;1-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;2-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;7-(3-phenylphenyl)thieno[2,3-b][1]benzofuran;7-phenylthieno[2,3-b][1]benzofuran;2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine;thieno[2,3-b][1]benzofuran with MolForge

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Related Compounds

1-(1-Benzothiophen-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(4-fluorophenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione
CID 162220108
5-[8-(1-Benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran
CID 123292338
15-(10,14-Dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-11,11-diethyl-12-methylidene-16-thia-10-azoniatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,13(17),14-heptaene
CID 123459898
2-(10,14-Dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-5,5-diethyl-10-methyl-4-methylidenethieno[2,3-a]quinolizin-6-ium
CID 123534981
2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-4,5,5-triethyl-4H-thieno[2,3-a]quinolizin-6-ium
CID 123780537
CID 153490146
CID 153490146
CID 153490153
CID 153490153
CID 153490162
CID 153490162
4-[3-[5-[[5-(2-Methoxy-4-pyridinyl)-3-(5-methylfuran-2-yl)-2-(3-oxobutyl)-1-benzofuran-7-yl]methyl]furan-2-yl]-5-thiophen-2-yl-1-benzofuran-2-yl]butan-2-one
CID 156338475
2,6-Dimethyldibenzofuran;2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,6-dimethylpyridine;3,5-dimethylpyridine
CID 157449807
1-Methyl-[1]benzothiolo[2,3-c]pyridine;6-methyl-[1]benzothiolo[2,3-c]pyridine;2-methyldibenzofuran;4-methyldibenzofuran;2-methyldibenzothiophene;4-methyldibenzothiophene;1-methyl-3-(4-phenylphenyl)benzene;1-methyl-4-(4-phenylphenyl)benzene
CID 157967012
CID 158037622
CID 158037622

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxythieno[2,3-b][1]benzofuran;2-methoxythieno[2,3-b][1]benzofuran;1-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;2-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;7-(3-phenylphenyl)thieno[2,3-b][1]benzofuran;7-phenylthieno[2,3-b][1]benzofuran;2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine;thieno[2,3-b][1]benzofuran?
The IUPAC name of ethane;1-methoxythieno[2,3-b][1]benzofuran;2-methoxythieno[2,3-b][1]benzofuran;1-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;2-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;7-(3-phenylphenyl)thieno[2,3-b][1]benzofuran;7-phenylthieno[2,3-b][1]benzofuran;2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine;thieno[2,3-b][1]benzofuran (CID 161376531) is ethane;1-methoxythieno[2,3-b][1]benzofuran;2-methoxythieno[2,3-b][1]benzofuran;1-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;2-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;7-(3-phenylphenyl)thieno[2,3-b][1]benzofuran;7-phenylthieno[2,3-b][1]benzofuran;2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine;thieno[2,3-b][1]benzofuran.
What is the SMILES notation for ethane;1-methoxythieno[2,3-b][1]benzofuran;2-methoxythieno[2,3-b][1]benzofuran;1-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;2-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;7-(3-phenylphenyl)thieno[2,3-b][1]benzofuran;7-phenylthieno[2,3-b][1]benzofuran;2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine;thieno[2,3-b][1]benzofuran?
The canonical SMILES for ethane;1-methoxythieno[2,3-b][1]benzofuran;2-methoxythieno[2,3-b][1]benzofuran;1-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;2-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;7-(3-phenylphenyl)thieno[2,3-b][1]benzofuran;7-phenylthieno[2,3-b][1]benzofuran;2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine;thieno[2,3-b][1]benzofuran is CC.CC.CC.CC.COc1cc2c(oc3ccc(-c4cccc(-c5ccc6oc7sccc7c6c5)c4)cc32)s1.COc1cc2c(oc3ccccc32)s1.COc1csc2oc3ccc(-c4cccc(-c5ccc6oc7sccc7c6c5)c4)cc3c12.COc1csc2oc3ccccc3c12.c1ccc(-c2cc(-c3ccc4oc5sccc5c4c3)ccn2)cc1.c1ccc(-c2ccc3oc4sccc4c3c2)cc1.c1ccc(-c2cccc(-c3ccc4oc5sccc5c4c3)c2)cc1.c1ccc2c(c1)oc1sccc12.
What is the InChIKey of ethane;1-methoxythieno[2,3-b][1]benzofuran;2-methoxythieno[2,3-b][1]benzofuran;1-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;2-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;7-(3-phenylphenyl)thieno[2,3-b][1]benzofuran;7-phenylthieno[2,3-b][1]benzofuran;2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine;thieno[2,3-b][1]benzofuran?
The InChIKey is VRDQPTPEWFCYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H16O3S2.C22H14OS.C21H13NOS.C16H10OS.2C11H8O2S.C10H6OS.4C2H6/c1-28-25-14-22-21-13-18(6-8-24(21)30-27(22)32-25)16-4-2-3-15(11-16)17-5-7-23-20(12-17)19-9-10-31-26(19)29-23;1-28-24-14-32-27-25(24)21-13-18(6-8-23(21)30-27)16-4-2-3-15(11-16)17-5-7-22-20(12-17)19-9-10-31-26(19)29-22;1-2-5-15(6-3-1)16-7-4-8-17(13-16)18-9-10-21-20(14-18)19-11-12-24-22(19)23-21;1-2-4-14(5-3-1)19-13-16(8-10-22-19)15-6-7-20-18(12-15)17-9-11-24-21(17)23-20;1-2-4-11(5-3-1)12-6-7-15-14(10-12)13-8-9-18-16(13)17-15;1-12-10-6-8-7-4-2-3-5-9(7)13-11(8)14-10;1-12-9-6-14-11-10(9)7-4-2-3-5-8(7)13-11;1-2-4-9-7(3-1)8-5-6-12-10(8)11-9;4*1-2/h2*2-14H,1H3;1-14H;1-13H;1-10H;2*2-6H,1H3;1-6H;4*1-2H3.
What are the key properties of ethane;1-methoxythieno[2,3-b][1]benzofuran;2-methoxythieno[2,3-b][1]benzofuran;1-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;2-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;7-(3-phenylphenyl)thieno[2,3-b][1]benzofuran;7-phenylthieno[2,3-b][1]benzofuran;2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine;thieno[2,3-b][1]benzofuran?
ethane;1-methoxythieno[2,3-b][1]benzofuran;2-methoxythieno[2,3-b][1]benzofuran;1-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;2-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;7-(3-phenylphenyl)thieno[2,3-b][1]benzofuran;7-phenylthieno[2,3-b][1]benzofuran;2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine;thieno[2,3-b][1]benzofuran has a molecular weight of 2512.27 g/mol, XLogP of 51.64, 13 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxythieno[2,3-b][1]benzofuran;2-methoxythieno[2,3-b][1]benzofuran;1-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;2-methoxy-7-(3-thieno[2,3-b][1]benzofuran-7-ylphenyl)thieno[2,3-b][1]benzofuran;7-(3-phenylphenyl)thieno[2,3-b][1]benzofuran;7-phenylthieno[2,3-b][1]benzofuran;2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine;thieno[2,3-b][1]benzofuran is sourced from PubChem (CID 161376531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).