About 2,12-diethoxy-7-(3-fluoro-6-methyl-2-octoxythieno[2,3-c]thiophen-4-yl)-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-dodecoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-2,12-diethoxy-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-dodecoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-ethoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(3-fluoro-6-methyl-2-octoxythieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene
2,12-diethoxy-7-(3-fluoro-6-methyl-2-octoxythieno[2,3-c]thiophen-4-yl)-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-dodecoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-2,12-diethoxy-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-dodecoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-ethoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(3-fluoro-6-methyl-2-octoxythieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene (PubChem CID 158868799) has the molecular formula C228H271F5O15S20
and a molecular weight of 3987.99 g/mol. Its IUPAC name is 2,12-diethoxy-7-(3-fluoro-6-methyl-2-octoxythieno[2,3-c]thiophen-4-yl)-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-dodecoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-2,12-diethoxy-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-dodecoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-ethoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(3-fluoro-6-methyl-2-octoxythieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene.
Frequently Asked Questions
What is the IUPAC name of 2,12-diethoxy-7-(3-fluoro-6-methyl-2-octoxythieno[2,3-c]thiophen-4-yl)-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-dodecoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-2,12-diethoxy-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-dodecoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-ethoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(3-fluoro-6-methyl-2-octoxythieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene?
The IUPAC name of 2,12-diethoxy-7-(3-fluoro-6-methyl-2-octoxythieno[2,3-c]thiophen-4-yl)-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-dodecoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-2,12-diethoxy-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-dodecoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-ethoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(3-fluoro-6-methyl-2-octoxythieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene (CID 158868799) is 2,12-diethoxy-7-(3-fluoro-6-methyl-2-octoxythieno[2,3-c]thiophen-4-yl)-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-dodecoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-2,12-diethoxy-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-dodecoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-ethoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(3-fluoro-6-methyl-2-octoxythieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene.
What is the SMILES notation for 2,12-diethoxy-7-(3-fluoro-6-methyl-2-octoxythieno[2,3-c]thiophen-4-yl)-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-dodecoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-2,12-diethoxy-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-dodecoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-ethoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(3-fluoro-6-methyl-2-octoxythieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene?
The canonical SMILES for 2,12-diethoxy-7-(3-fluoro-6-methyl-2-octoxythieno[2,3-c]thiophen-4-yl)-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-dodecoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-2,12-diethoxy-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-dodecoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-ethoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(3-fluoro-6-methyl-2-octoxythieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene is CCCCCCCCCCCCOc1sc2c(C)sc(-c3cc4cc5c(OCC)c6cc7sc(C)cc7cc6c(OCC)c5cc4s3)c2c1F.CCCCCCCCCCCCOc1sc2c(C)sc(-c3cc4cc5c(OCCCCCCCC)c6cc7sc(C)cc7cc6c(OCCCCCCCC)c5cc4s3)c2c1F.CCCCCCCCOc1c2cc3cc(-c4sc(C)c5sc(OCC)c(F)c45)sc3cc2c(OCCCCCCCC)c2cc3cc(C)sc3cc12.CCCCCCCCOc1sc2c(C)sc(-c3cc4cc5c(OCC)c6cc7sc(C)cc7cc6c(OCC)c5cc4s3)c2c1F.CCCCCCCCOc1sc2c(C)sc(-c3cc4cc5c(OCCCCCCCC)c6cc7sc(C)cc7cc6c(OCCCCCCCC)c5cc4s3)c2c1F.
What is the InChIKey of 2,12-diethoxy-7-(3-fluoro-6-methyl-2-octoxythieno[2,3-c]thiophen-4-yl)-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-dodecoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-2,12-diethoxy-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-dodecoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-ethoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(3-fluoro-6-methyl-2-octoxythieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene?
The InChIKey is JBOSPXUSUWORNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H71FO3S4.C50H63FO3S4.C44H51FO3S4.C42H47FO3S4.C38H39FO3S4/c1-6-9-12-15-18-19-20-21-24-27-30-58-54-49(55)48-52(62-54)38(5)60-53(48)47-34-40-33-42-44(36-46(40)61-47)50(56-28-25-22-16-13-10-7-2)41-32-39-31-37(4)59-45(39)35-43(41)51(42)57-29-26-23-17-14-11-8-3;1-6-9-12-15-18-21-24-52-46-37-28-35-27-33(4)55-41(35)31-39(37)47(53-25-22-19-16-13-10-7-2)38-29-36-30-43(57-42(36)32-40(38)46)49-44-45(51)50(58-48(44)34(5)56-49)54-26-23-20-17-14-11-8-3;1-6-9-11-13-15-17-19-47-40-31-22-29-21-27(4)49-35(29)25-33(31)41(48-20-18-16-14-12-10-7-2)32-23-30-24-37(51-36(30)26-34(32)40)43-38-39(45)44(46-8-3)52-42(38)28(5)50-43;1-6-9-10-11-12-13-14-15-16-17-18-46-42-37(43)36-40(50-42)26(5)48-41(36)35-22-28-21-30-32(24-34(28)49-35)38(44-7-2)29-20-27-19-25(4)47-33(27)23-31(29)39(30)45-8-3;1-6-9-10-11-12-13-14-42-38-33(39)32-36(46-38)22(5)44-37(32)31-18-24-17-26-28(20-30(24)45-31)34(40-7-2)25-16-23-15-21(4)43-29(23)19-27(25)35(26)41-8-3/h31-36H,6-30H2,1-5H3;27-32H,6-26H2,1-5H3;21-26H,6-20H2,1-5H3;19-24H,6-18H2,1-5H3;15-20H,6-14H2,1-5H3.
What are the key properties of 2,12-diethoxy-7-(3-fluoro-6-methyl-2-octoxythieno[2,3-c]thiophen-4-yl)-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-dodecoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-2,12-diethoxy-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-dodecoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-ethoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(3-fluoro-6-methyl-2-octoxythieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene?
2,12-diethoxy-7-(3-fluoro-6-methyl-2-octoxythieno[2,3-c]thiophen-4-yl)-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-dodecoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-2,12-diethoxy-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-dodecoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-ethoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(3-fluoro-6-methyl-2-octoxythieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene has a molecular weight of 3987.99 g/mol, XLogP of 83.11, 103 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2,12-diethoxy-7-(3-fluoro-6-methyl-2-octoxythieno[2,3-c]thiophen-4-yl)-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-dodecoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-2,12-diethoxy-17-methyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-dodecoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(2-ethoxy-3-fluoro-6-methylthieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7-(3-fluoro-6-methyl-2-octoxythieno[2,3-c]thiophen-4-yl)-17-methyl-2,12-dioctoxy-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene is sourced from PubChem (CID 158868799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).