About 5,9,17,21,29,33-hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;9,21,33-trioxa-5,17,29-trithiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;5,17,29-trithia-9,21-diazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1,3,6,8(12),10,13,15,18,20(24),22,25,27,30,32(36),34-pentadecaene;5,17,29-trithia-8,20,32-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,9,11,14(25),15,18,21,23,27,30,33,35-pentadecaene
5,9,17,21,29,33-hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;9,21,33-trioxa-5,17,29-trithiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;5,17,29-trithia-9,21-diazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1,3,6,8(12),10,13,15,18,20(24),22,25,27,30,32(36),34-pentadecaene;5,17,29-trithia-8,20,32-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,9,11,14(25),15,18,21,23,27,30,33,35-pentadecaene (PubChem CID 159815838) has the molecular formula C121H55N5O3S15
and a molecular weight of 2107.81 g/mol. Its IUPAC name is 5,9,17,21,29,33-hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;9,21,33-trioxa-5,17,29-trithiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;5,17,29-trithia-9,21-diazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1,3,6,8(12),10,13,15,18,20(24),22,25,27,30,32(36),34-pentadecaene;5,17,29-trithia-8,20,32-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,9,11,14(25),15,18,21,23,27,30,33,35-pentadecaene.
Frequently Asked Questions
What is the IUPAC name of 5,9,17,21,29,33-hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;9,21,33-trioxa-5,17,29-trithiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;5,17,29-trithia-9,21-diazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1,3,6,8(12),10,13,15,18,20(24),22,25,27,30,32(36),34-pentadecaene;5,17,29-trithia-8,20,32-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,9,11,14(25),15,18,21,23,27,30,33,35-pentadecaene?
The IUPAC name of 5,9,17,21,29,33-hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;9,21,33-trioxa-5,17,29-trithiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;5,17,29-trithia-9,21-diazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1,3,6,8(12),10,13,15,18,20(24),22,25,27,30,32(36),34-pentadecaene;5,17,29-trithia-8,20,32-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,9,11,14(25),15,18,21,23,27,30,33,35-pentadecaene (CID 159815838) is 5,9,17,21,29,33-hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;9,21,33-trioxa-5,17,29-trithiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;5,17,29-trithia-9,21-diazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1,3,6,8(12),10,13,15,18,20(24),22,25,27,30,32(36),34-pentadecaene;5,17,29-trithia-8,20,32-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,9,11,14(25),15,18,21,23,27,30,33,35-pentadecaene.
What is the SMILES notation for 5,9,17,21,29,33-hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;9,21,33-trioxa-5,17,29-trithiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;5,17,29-trithia-9,21-diazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1,3,6,8(12),10,13,15,18,20(24),22,25,27,30,32(36),34-pentadecaene;5,17,29-trithia-8,20,32-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,9,11,14(25),15,18,21,23,27,30,33,35-pentadecaene?
The canonical SMILES for 5,9,17,21,29,33-hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;9,21,33-trioxa-5,17,29-trithiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;5,17,29-trithia-9,21-diazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1,3,6,8(12),10,13,15,18,20(24),22,25,27,30,32(36),34-pentadecaene;5,17,29-trithia-8,20,32-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,9,11,14(25),15,18,21,23,27,30,33,35-pentadecaene is C1=Cc2c(c3cscc3c3c2c2c4cscc4c4[nH]ccc4c2c2c4cscc4c4[nH]ccc4c32)C1.c1cc2c(o1)c1cscc1c1c2c2c3cscc3c3occc3c2c2c3cscc3c3occc3c12.c1cc2c(s1)c1cscc1c1c2c2c3cscc3c3sccc3c2c2c3cscc3c3sccc3c12.c1cc2c3c(c4cscc4n2c1)c1c(c2cscc2n2cccc12)c1c3c2cscc2n2cccc12.
What is the InChIKey of 5,9,17,21,29,33-hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;9,21,33-trioxa-5,17,29-trithiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;5,17,29-trithia-9,21-diazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1,3,6,8(12),10,13,15,18,20(24),22,25,27,30,32(36),34-pentadecaene;5,17,29-trithia-8,20,32-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,9,11,14(25),15,18,21,23,27,30,33,35-pentadecaene?
The InChIKey is NLPLOOGUTXSAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H16N2S3.C30H15N3S3.C30H12O3S3.C30H12S6/c1-2-14-15(3-1)24-27(19-9-34-8-18(14)19)25-16-4-6-32-30(16)23-13-36-11-21(23)29(25)26-17-5-7-33-31(17)22-12-35-10-20(22)28(24)26;1-4-19-28-25(16-10-34-13-22(16)31(19)7-1)29-20-5-2-9-33(20)24-15-36-12-18(24)27(29)30-21-6-3-8-32(21)23-14-35-11-17(23)26(28)30;1-4-31-28-13(1)22-25(16-7-34-10-19(16)28)23-14-2-6-33-30(14)21-12-36-9-18(21)27(23)24-15-3-5-32-29(15)20-11-35-8-17(20)26(22)24;1-4-34-28-13(1)22-25(16-7-31-10-19(16)28)23-14-2-6-36-30(14)21-12-33-9-18(21)27(23)24-15-3-5-35-29(15)20-11-32-8-17(20)26(22)24/h1,3-13,32-33H,2H2;1-15H;2*1-12H.
What are the key properties of 5,9,17,21,29,33-hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;9,21,33-trioxa-5,17,29-trithiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;5,17,29-trithia-9,21-diazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1,3,6,8(12),10,13,15,18,20(24),22,25,27,30,32(36),34-pentadecaene;5,17,29-trithia-8,20,32-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,9,11,14(25),15,18,21,23,27,30,33,35-pentadecaene?
5,9,17,21,29,33-hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;9,21,33-trioxa-5,17,29-trithiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;5,17,29-trithia-9,21-diazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1,3,6,8(12),10,13,15,18,20(24),22,25,27,30,32(36),34-pentadecaene;5,17,29-trithia-8,20,32-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,9,11,14(25),15,18,21,23,27,30,33,35-pentadecaene has a molecular weight of 2107.81 g/mol, XLogP of 43.33, 0 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9,17,21,29,33-hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;9,21,33-trioxa-5,17,29-trithiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;5,17,29-trithia-9,21-diazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1,3,6,8(12),10,13,15,18,20(24),22,25,27,30,32(36),34-pentadecaene;5,17,29-trithia-8,20,32-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,9,11,14(25),15,18,21,23,27,30,33,35-pentadecaene is sourced from PubChem (CID 159815838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).