About 4,7,9-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19(27),21,23,25,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21,23,25,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,22,24,26,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21(29),22,24,26-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21(29),23,25,27-tetradecaene
4,7,9-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19(27),21,23,25,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21,23,25,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,22,24,26,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21(29),22,24,26-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21(29),23,25,27-tetradecaene (PubChem CID 157252696) has the molecular formula C168H102N18
and a molecular weight of 2372.79 g/mol. Its IUPAC name is 4,7,9-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19(27),21,23,25,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21,23,25,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,22,24,26,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21(29),22,24,26-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21(29),23,25,27-tetradecaene.
Frequently Asked Questions
What is the IUPAC name of 4,7,9-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19(27),21,23,25,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21,23,25,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,22,24,26,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21(29),22,24,26-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21(29),23,25,27-tetradecaene?
The IUPAC name of 4,7,9-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19(27),21,23,25,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21,23,25,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,22,24,26,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21(29),22,24,26-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21(29),23,25,27-tetradecaene (CID 157252696) is 4,7,9-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19(27),21,23,25,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21,23,25,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,22,24,26,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21(29),22,24,26-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21(29),23,25,27-tetradecaene.
What is the SMILES notation for 4,7,9-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19(27),21,23,25,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21,23,25,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,22,24,26,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21(29),22,24,26-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21(29),23,25,27-tetradecaene?
The canonical SMILES for 4,7,9-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19(27),21,23,25,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21,23,25,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,22,24,26,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21(29),22,24,26-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21(29),23,25,27-tetradecaene is c1ccc2c(c1)Cc1c-2ccc2c1-c1cc3c4cccnc4n4ccnc4c3cc1C2.c1ccc2c(c1)Cc1c-2ccc2c1Cc1cc3c(cc1-2)c1cccnc1n1ccnc31.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1cc2c4cccnc4n4ccnc4c2cc1C3.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc2c(cc1-3)c1cccnc1n1ccnc21.c1ccc2c(c1)Cc1ccc3c(c1-2)-c1ccc2c4cccnc4n4ccnc4c2c1C3.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1cc2c(cc1-3)c1cccnc1n1ccnc21.
What is the InChIKey of 4,7,9-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19(27),21,23,25,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21,23,25,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,22,24,26,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21(29),22,24,26-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21(29),23,25,27-tetradecaene?
The InChIKey is AWNDXNBHELRPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/6C28H17N3/c1-2-5-19-16(4-1)14-17-7-8-18-15-23-21(25(18)24(17)19)10-9-20-22-6-3-11-29-27(22)31-13-12-30-28(31)26(20)23;1-2-5-19-16(4-1)13-24-20(19)8-7-17-12-18-14-25-23(15-22(18)26(17)24)21-6-3-9-29-27(21)31-11-10-30-28(25)31;1-2-5-18-16(4-1)12-23-19(18)7-8-20-22-15-25-21-6-3-9-29-27(21)31-11-10-30-28(31)26(25)14-17(22)13-24(20)23;1-2-5-19-16(4-1)12-17-7-8-20-22-15-23-21-6-3-9-29-27(21)31-11-10-30-28(31)25(23)14-18(22)13-24(20)26(17)19;1-2-5-20-16(4-1)10-17-13-23-18(12-22(17)20)11-19-14-26-25(15-24(19)23)21-6-3-7-29-27(21)31-9-8-30-28(26)31;1-2-5-20-16(4-1)10-17-11-18-12-19-13-26-25(15-24(19)23(18)14-22(17)20)21-6-3-7-29-27(21)31-9-8-30-28(26)31/h1-13H,14-15H2;3*1-11,14-15H,12-13H2;1-9,12-15H,10-11H2;1-9,11,13-15H,10,12H2.
What are the key properties of 4,7,9-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19(27),21,23,25,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21,23,25,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,22,24,26,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21(29),22,24,26-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21(29),23,25,27-tetradecaene?
4,7,9-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19(27),21,23,25,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21,23,25,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,22,24,26,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21(29),22,24,26-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21(29),23,25,27-tetradecaene has a molecular weight of 2372.79 g/mol, XLogP of 37.07, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,9-triazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19(27),21,23,25,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21,23,25,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.020,28.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,22,24,26,28-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21(29),22,24,26-tetradecaene;5,8,10-triazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21(29),23,25,27-tetradecaene is sourced from PubChem (CID 157252696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).