About 2-[6-[6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)naphthalen-2-yl]naphthalen-2-yl]-1,3,5-triazine;6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-8-phenylisoquinoline;2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-(6-phenylnaphthalen-1-yl)pyrimidine;7-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-pyridinyl]quinoline;2-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)pyrimidin-4-yl]-1,10-phenanthroline;2-[4-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline
2-[6-[6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)naphthalen-2-yl]naphthalen-2-yl]-1,3,5-triazine;6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-8-phenylisoquinoline;2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-(6-phenylnaphthalen-1-yl)pyrimidine;7-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-pyridinyl]quinoline;2-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)pyrimidin-4-yl]-1,10-phenanthroline;2-[4-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline (PubChem CID 161176124) has the molecular formula C247H141N17
and a molecular weight of 3346.96 g/mol. Its IUPAC name is 2-[6-[6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)naphthalen-2-yl]naphthalen-2-yl]-1,3,5-triazine;6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-8-phenylisoquinoline;2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-(6-phenylnaphthalen-1-yl)pyrimidine;7-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-pyridinyl]quinoline;2-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)pyrimidin-4-yl]-1,10-phenanthroline;2-[4-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline.
Frequently Asked Questions
What is the IUPAC name of 2-[6-[6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)naphthalen-2-yl]naphthalen-2-yl]-1,3,5-triazine;6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-8-phenylisoquinoline;2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-(6-phenylnaphthalen-1-yl)pyrimidine;7-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-pyridinyl]quinoline;2-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)pyrimidin-4-yl]-1,10-phenanthroline;2-[4-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline?
The IUPAC name of 2-[6-[6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)naphthalen-2-yl]naphthalen-2-yl]-1,3,5-triazine;6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-8-phenylisoquinoline;2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-(6-phenylnaphthalen-1-yl)pyrimidine;7-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-pyridinyl]quinoline;2-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)pyrimidin-4-yl]-1,10-phenanthroline;2-[4-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline (CID 161176124) is 2-[6-[6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)naphthalen-2-yl]naphthalen-2-yl]-1,3,5-triazine;6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-8-phenylisoquinoline;2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-(6-phenylnaphthalen-1-yl)pyrimidine;7-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-pyridinyl]quinoline;2-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)pyrimidin-4-yl]-1,10-phenanthroline;2-[4-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline.
What is the SMILES notation for 2-[6-[6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)naphthalen-2-yl]naphthalen-2-yl]-1,3,5-triazine;6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-8-phenylisoquinoline;2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-(6-phenylnaphthalen-1-yl)pyrimidine;7-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-pyridinyl]quinoline;2-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)pyrimidin-4-yl]-1,10-phenanthroline;2-[4-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline?
The canonical SMILES for 2-[6-[6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)naphthalen-2-yl]naphthalen-2-yl]-1,3,5-triazine;6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-8-phenylisoquinoline;2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-(6-phenylnaphthalen-1-yl)pyrimidine;7-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-pyridinyl]quinoline;2-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)pyrimidin-4-yl]-1,10-phenanthroline;2-[4-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline is c1cc2c3c(ccc(-c4ccc5cc(-c6ccc7cc(-c8ncncn8)ccc7c6)ccc5c4)c3c1)-c1c-2c2ccccc2c2ccccc12.c1ccc(-c2cc(-c3ccc4c5c(cccc35)-c3c-4c4ccccc4c4ccccc34)cc3ccncc23)cc1.c1ccc(-c2ccc3c(-c4ccnc(-c5ccc6c7c(cccc57)-c5c-6c6ccccc6c6ccccc56)n4)cccc3c2)cc1.c1cnc2c(c1)ccc1ccc(-c3ccnc(-c4ccc5c6c(cccc46)-c4c-5c5ccccc5c5ccccc45)n3)nc12.c1cnc2c(c1)ccc1ccc(-c3ncnc(-c4ccc5c6c(cccc46)-c4c-5c5ccccc5c5ccccc45)n3)nc12.c1cnc2cc(-c3ccnc(-c4ccc5c6c(cccc46)-c4c-5c5ccccc5c5ccccc45)c3)ccc2c1.
What is the InChIKey of 2-[6-[6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)naphthalen-2-yl]naphthalen-2-yl]-1,3,5-triazine;6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-8-phenylisoquinoline;2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-(6-phenylnaphthalen-1-yl)pyrimidine;7-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-pyridinyl]quinoline;2-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)pyrimidin-4-yl]-1,10-phenanthroline;2-[4-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline?
The InChIKey is URVJSAOCQDAKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N3.C44H26N2.C40H22N4.C39H21N5.C39H23N.C38H22N2/c1-3-8-40-37(6-1)38-7-2-4-9-41(38)46-43-21-20-36(39-10-5-11-42(44(39)43)45(40)46)34-18-16-30-22-28(12-14-32(30)24-34)29-13-15-33-25-35(19-17-31(33)23-29)47-49-26-48-27-50-47;1-2-10-27(11-3-1)28-20-21-30-29(26-28)12-8-17-33(30)40-24-25-45-44(46-40)37-22-23-39-41-36(37)18-9-19-38(41)42-34-15-6-4-13-31(34)32-14-5-7-16-35(32)43(39)42;1-3-10-27-25(8-1)26-9-2-4-11-28(26)37-32-18-17-30(29-12-5-13-31(35(29)32)36(27)37)40-42-22-20-34(44-40)33-19-16-24-15-14-23-7-6-21-41-38(23)39(24)43-33;1-3-10-26-24(8-1)25-9-2-4-11-27(25)35-31-18-17-29(28-12-5-13-30(33(28)31)34(26)35)38-41-21-42-39(44-38)32-19-16-23-15-14-22-7-6-20-40-36(22)37(23)43-32;1-2-9-24(10-3-1)35-22-26(21-25-19-20-40-23-36(25)35)27-17-18-34-37-30(27)15-8-16-33(37)38-31-13-6-4-11-28(31)29-12-5-7-14-32(29)39(34)38;1-3-10-29-26(8-1)27-9-2-4-11-30(27)38-33-17-16-28(31-12-5-13-32(36(31)33)37(29)38)35-22-25(18-20-40-35)24-15-14-23-7-6-19-39-34(23)21-24/h1-27H;1-26H;1-22H;1-21H;1-23H;1-22H.
What are the key properties of 2-[6-[6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)naphthalen-2-yl]naphthalen-2-yl]-1,3,5-triazine;6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-8-phenylisoquinoline;2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-(6-phenylnaphthalen-1-yl)pyrimidine;7-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-pyridinyl]quinoline;2-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)pyrimidin-4-yl]-1,10-phenanthroline;2-[4-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline?
2-[6-[6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)naphthalen-2-yl]naphthalen-2-yl]-1,3,5-triazine;6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-8-phenylisoquinoline;2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-(6-phenylnaphthalen-1-yl)pyrimidine;7-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-pyridinyl]quinoline;2-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)pyrimidin-4-yl]-1,10-phenanthroline;2-[4-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline has a molecular weight of 3346.96 g/mol, XLogP of 64.19, 14 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)naphthalen-2-yl]naphthalen-2-yl]-1,3,5-triazine;6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-8-phenylisoquinoline;2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-(6-phenylnaphthalen-1-yl)pyrimidine;7-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-pyridinyl]quinoline;2-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)pyrimidin-4-yl]-1,10-phenanthroline;2-[4-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline is sourced from PubChem (CID 161176124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).