About 1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;15,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene
1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;15,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene (PubChem CID 167551433) has the molecular formula C198H132N12
and a molecular weight of 2679.32 g/mol. Its IUPAC name is 1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;15,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene.
Frequently Asked Questions
What is the IUPAC name of 1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;15,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene?
The IUPAC name of 1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;15,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene (CID 167551433) is 1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;15,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene.
What is the SMILES notation for 1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;15,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene?
The canonical SMILES for 1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;15,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene is c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1c2c(cc4c1N3c1cccnc1C4)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1c2c(cc4c1N3c1ccncc1C4)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1cc2c(c4c1N3c1cccnc1C4)-c1ccccc1C2.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1cc2c(c4c1N3c1ccncc1C4)-c1ccccc1C2.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1cc2c(c4c1N3c1cnccc1C4)-c1ccccc1C2.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1cc2c(c4c1N3c1ncccc1C4)-c1ccccc1C2.
What is the InChIKey of 1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;15,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene?
The InChIKey is CLJXBPNNXCWQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/6C33H22N2/c1-3-9-25-19(6-1)14-21-11-12-29-27(30(21)25)18-24-16-23-15-20-7-2-4-10-26(20)31(23)28-17-22-8-5-13-34-33(22)35(29)32(24)28;1-3-8-24-19(6-1)14-21-11-12-29-26(31(21)24)18-27-32-22(15-20-7-2-4-9-25(20)32)16-23-17-28-30(10-5-13-34-28)35(29)33(23)27;1-3-8-24-19(6-1)14-21-11-12-29-26(31(21)24)17-23-16-22-15-20-7-2-4-9-25(20)32(22)27-18-28-30(10-5-13-34-28)35(29)33(23)27;1-3-7-25-19(5-1)13-22-9-10-29-27(31(22)25)17-24-15-23-14-20-6-2-4-8-26(20)32(23)28-16-21-11-12-34-18-30(21)35(29)33(24)28;1-3-7-25-19(5-1)13-21-9-10-30-27(31(21)25)16-23-15-22-14-20-6-2-4-8-26(20)32(22)28-17-24-18-34-12-11-29(24)35(30)33(23)28;1-3-7-25-19(5-1)13-21-9-10-30-27(31(21)25)17-28-32-22(14-20-6-2-4-8-26(20)32)15-23-16-24-18-34-12-11-29(24)35(30)33(23)28/h3*1-13,16H,14-15,17-18H2;3*1-12,15,18H,13-14,16-17H2.
What are the key properties of 1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;15,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene?
1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;15,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene has a molecular weight of 2679.32 g/mol, XLogP of 45.01, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;15,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene is sourced from PubChem (CID 167551433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).