About 2,12-bis(2-decyltetradecyl)-7-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]-17-(5-methylthiophen-2-yl)pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene-6,16-dione;2,12-bis(2-decyltetradecyl)-7-(5-methylthiophen-2-yl)-17-[5-[5-[2-(5-methylthiophen-2-yl)ethyl]thiophen-2-yl]thiophen-2-yl]pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene-6,16-dione;2,12-bis(2-decyltetradecyl)-7-(5-methylthiophen-2-yl)-17-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene-6,16-dione;2,12-bis(3,7-dimethyloctyl)-7,17-bis(5-methylthiophen-2-yl)pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene-6,16-dione
2,12-bis(2-decyltetradecyl)-7-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]-17-(5-methylthiophen-2-yl)pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene-6,16-dione;2,12-bis(2-decyltetradecyl)-7-(5-methylthiophen-2-yl)-17-[5-[5-[2-(5-methylthiophen-2-yl)ethyl]thiophen-2-yl]thiophen-2-yl]pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene-6,16-dione;2,12-bis(2-decyltetradecyl)-7-(5-methylthiophen-2-yl)-17-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene-6,16-dione;2,12-bis(3,7-dimethyloctyl)-7,17-bis(5-methylthiophen-2-yl)pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene-6,16-dione (PubChem CID 158577564) has the molecular formula C304H412O8S13
and a molecular weight of 4611.50 g/mol. Its IUPAC name is 2,12-bis(2-decyltetradecyl)-7-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]-17-(5-methylthiophen-2-yl)pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene-6,16-dione;2,12-bis(2-decyltetradecyl)-7-(5-methylthiophen-2-yl)-17-[5-[5-[2-(5-methylthiophen-2-yl)ethyl]thiophen-2-yl]thiophen-2-yl]pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene-6,16-dione;2,12-bis(2-decyltetradecyl)-7-(5-methylthiophen-2-yl)-17-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene-6,16-dione;2,12-bis(3,7-dimethyloctyl)-7,17-bis(5-methylthiophen-2-yl)pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene-6,16-dione.
Frequently Asked Questions
What is the IUPAC name of 2,12-bis(2-decyltetradecyl)-7-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]-17-(5-methylthiophen-2-yl)pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene-6,16-dione;2,12-bis(2-decyltetradecyl)-7-(5-methylthiophen-2-yl)-17-[5-[5-[2-(5-methylthiophen-2-yl)ethyl]thiophen-2-yl]thiophen-2-yl]pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene-6,16-dione;2,12-bis(2-decyltetradecyl)-7-(5-methylthiophen-2-yl)-17-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene-6,16-dione;2,12-bis(3,7-dimethyloctyl)-7,17-bis(5-methylthiophen-2-yl)pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene-6,16-dione?
The IUPAC name of 2,12-bis(2-decyltetradecyl)-7-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]-17-(5-methylthiophen-2-yl)pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene-6,16-dione;2,12-bis(2-decyltetradecyl)-7-(5-methylthiophen-2-yl)-17-[5-[5-[2-(5-methylthiophen-2-yl)ethyl]thiophen-2-yl]thiophen-2-yl]pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene-6,16-dione;2,12-bis(2-decyltetradecyl)-7-(5-methylthiophen-2-yl)-17-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene-6,16-dione;2,12-bis(3,7-dimethyloctyl)-7,17-bis(5-methylthiophen-2-yl)pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene-6,16-dione (CID 158577564) is 2,12-bis(2-decyltetradecyl)-7-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]-17-(5-methylthiophen-2-yl)pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene-6,16-dione;2,12-bis(2-decyltetradecyl)-7-(5-methylthiophen-2-yl)-17-[5-[5-[2-(5-methylthiophen-2-yl)ethyl]thiophen-2-yl]thiophen-2-yl]pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene-6,16-dione;2,12-bis(2-decyltetradecyl)-7-(5-methylthiophen-2-yl)-17-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene-6,16-dione;2,12-bis(3,7-dimethyloctyl)-7,17-bis(5-methylthiophen-2-yl)pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene-6,16-dione.
What is the SMILES notation for 2,12-bis(2-decyltetradecyl)-7-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]-17-(5-methylthiophen-2-yl)pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene-6,16-dione;2,12-bis(2-decyltetradecyl)-7-(5-methylthiophen-2-yl)-17-[5-[5-[2-(5-methylthiophen-2-yl)ethyl]thiophen-2-yl]thiophen-2-yl]pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene-6,16-dione;2,12-bis(2-decyltetradecyl)-7-(5-methylthiophen-2-yl)-17-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene-6,16-dione;2,12-bis(3,7-dimethyloctyl)-7,17-bis(5-methylthiophen-2-yl)pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene-6,16-dione?
The canonical SMILES for 2,12-bis(2-decyltetradecyl)-7-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]-17-(5-methylthiophen-2-yl)pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene-6,16-dione;2,12-bis(2-decyltetradecyl)-7-(5-methylthiophen-2-yl)-17-[5-[5-[2-(5-methylthiophen-2-yl)ethyl]thiophen-2-yl]thiophen-2-yl]pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene-6,16-dione;2,12-bis(2-decyltetradecyl)-7-(5-methylthiophen-2-yl)-17-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene-6,16-dione;2,12-bis(3,7-dimethyloctyl)-7,17-bis(5-methylthiophen-2-yl)pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene-6,16-dione is CCCCCCCCCCCCC(CCCCCCCCCC)Cc1c2cc3cc(-c4ccc(-c5cc6sc(C)cc6s5)s4)c(=O)c3cc2c(CC(CCCCCCCCCC)CCCCCCCCCCCC)c2cc3cc(-c4ccc(C)s4)c(=O)c3cc12.CCCCCCCCCCCCC(CCCCCCCCCC)Cc1c2cc3cc(-c4ccc(-c5ccc(C)s5)s4)c(=O)c3cc2c(CC(CCCCCCCCCC)CCCCCCCCCCCC)c2cc3cc(-c4ccc(C)s4)c(=O)c3cc12.CCCCCCCCCCCCC(CCCCCCCCCC)Cc1c2cc3cc(-c4ccc(-c5ccc(CCc6ccc(C)s6)s5)s4)c(=O)c3cc2c(CC(CCCCCCCCCC)CCCCCCCCCCCC)c2cc3cc(-c4ccc(C)s4)c(=O)c3cc12.Cc1ccc(-c2cc3cc4c(CCC(C)CCCC(C)C)c5cc6c(=O)c(-c7ccc(C)s7)cc6cc5c(CCC(C)CCCC(C)C)c4cc3c2=O)s1.
What is the InChIKey of 2,12-bis(2-decyltetradecyl)-7-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]-17-(5-methylthiophen-2-yl)pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene-6,16-dione;2,12-bis(2-decyltetradecyl)-7-(5-methylthiophen-2-yl)-17-[5-[5-[2-(5-methylthiophen-2-yl)ethyl]thiophen-2-yl]thiophen-2-yl]pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene-6,16-dione;2,12-bis(2-decyltetradecyl)-7-(5-methylthiophen-2-yl)-17-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene-6,16-dione;2,12-bis(3,7-dimethyloctyl)-7,17-bis(5-methylthiophen-2-yl)pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene-6,16-dione?
The InChIKey is HSVRJZMUBGRMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H122O2S4.C84H116O2S4.C82H116O2S3.C50H58O2S2/c1-7-11-15-19-23-27-29-33-37-41-45-67(43-39-35-31-25-21-17-13-9-3)57-75-77-59-69-61-81(83-53-48-66(6)92-83)87(89)73(69)63-79(77)76(58-68(44-40-36-32-26-22-18-14-10-4)46-42-38-34-30-28-24-20-16-12-8-2)78-60-70-62-82(88(90)74(70)64-80(75)78)84-55-56-86(94-84)85-54-52-72(93-85)51-50-71-49-47-65(5)91-71;1-7-11-15-19-23-27-29-33-37-41-45-63(43-39-35-31-25-21-17-13-9-3)52-69-71-54-65-56-75(77-48-47-61(5)87-77)83(85)67(65)58-73(71)70(53-64(44-40-36-32-26-22-18-14-10-4)46-42-38-34-30-28-24-20-16-12-8-2)72-55-66-57-76(84(86)68(66)59-74(69)72)78-49-50-79(89-78)81-60-82-80(90-81)51-62(6)88-82;1-7-11-15-19-23-27-29-33-37-41-45-63(43-39-35-31-25-21-17-13-9-3)53-69-71-55-65-57-75(77-49-47-61(5)85-77)81(83)67(65)59-73(71)70(54-64(44-40-36-32-26-22-18-14-10-4)46-42-38-34-30-28-24-20-16-12-8-2)72-56-66-58-76(82(84)68(66)60-74(69)72)78-51-52-80(87-78)79-50-48-62(6)86-79;1-29(2)11-9-13-31(5)15-19-37-41-23-35-25-45(47-21-17-33(7)53-47)50(52)40(35)28-44(41)38(20-16-32(6)14-10-12-30(3)4)42-24-36-26-46(48-22-18-34(8)54-48)49(51)39(36)27-43(37)42/h47-49,52-56,59-64,67-68H,7-46,50-51,57-58H2,1-6H3;47-51,54-60,63-64H,7-46,52-53H2,1-6H3;47-52,55-60,63-64H,7-46,53-54H2,1-6H3;17-18,21-32H,9-16,19-20H2,1-8H3.
What are the key properties of 2,12-bis(2-decyltetradecyl)-7-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]-17-(5-methylthiophen-2-yl)pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene-6,16-dione;2,12-bis(2-decyltetradecyl)-7-(5-methylthiophen-2-yl)-17-[5-[5-[2-(5-methylthiophen-2-yl)ethyl]thiophen-2-yl]thiophen-2-yl]pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene-6,16-dione;2,12-bis(2-decyltetradecyl)-7-(5-methylthiophen-2-yl)-17-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene-6,16-dione;2,12-bis(3,7-dimethyloctyl)-7,17-bis(5-methylthiophen-2-yl)pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene-6,16-dione?
2,12-bis(2-decyltetradecyl)-7-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]-17-(5-methylthiophen-2-yl)pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene-6,16-dione;2,12-bis(2-decyltetradecyl)-7-(5-methylthiophen-2-yl)-17-[5-[5-[2-(5-methylthiophen-2-yl)ethyl]thiophen-2-yl]thiophen-2-yl]pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene-6,16-dione;2,12-bis(2-decyltetradecyl)-7-(5-methylthiophen-2-yl)-17-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene-6,16-dione;2,12-bis(3,7-dimethyloctyl)-7,17-bis(5-methylthiophen-2-yl)pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene-6,16-dione has a molecular weight of 4611.50 g/mol, XLogP of 100.92, 160 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2,12-bis(2-decyltetradecyl)-7-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]-17-(5-methylthiophen-2-yl)pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene-6,16-dione;2,12-bis(2-decyltetradecyl)-7-(5-methylthiophen-2-yl)-17-[5-[5-[2-(5-methylthiophen-2-yl)ethyl]thiophen-2-yl]thiophen-2-yl]pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene-6,16-dione;2,12-bis(2-decyltetradecyl)-7-(5-methylthiophen-2-yl)-17-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene-6,16-dione;2,12-bis(3,7-dimethyloctyl)-7,17-bis(5-methylthiophen-2-yl)pentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene-6,16-dione is sourced from PubChem (CID 158577564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).