About 26,31-diphenyl-7,9,12,26,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,18(30),19(27),20,22,24,28-tetradecaene;27,31-diphenyl-7,9,12,27,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,18(30),19,21,23,25,28-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20(28),21,23,25,29-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,22,24,26,29-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.022,30.023,28]hentriaconta-1(17),2,4,6,9(14),10,12,15,19(31),20,22(30),23,25,27-tetradecaene
26,31-diphenyl-7,9,12,26,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,18(30),19(27),20,22,24,28-tetradecaene;27,31-diphenyl-7,9,12,27,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,18(30),19,21,23,25,28-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20(28),21,23,25,29-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,22,24,26,29-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.022,30.023,28]hentriaconta-1(17),2,4,6,9(14),10,12,15,19(31),20,22(30),23,25,27-tetradecaene (PubChem CID 158831011) has the molecular formula C175H106N22
and a molecular weight of 2516.93 g/mol. Its IUPAC name is 26,31-diphenyl-7,9,12,26,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,18(30),19(27),20,22,24,28-tetradecaene;27,31-diphenyl-7,9,12,27,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,18(30),19,21,23,25,28-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20(28),21,23,25,29-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,22,24,26,29-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.022,30.023,28]hentriaconta-1(17),2,4,6,9(14),10,12,15,19(31),20,22(30),23,25,27-tetradecaene.
Frequently Asked Questions
What is the IUPAC name of 26,31-diphenyl-7,9,12,26,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,18(30),19(27),20,22,24,28-tetradecaene;27,31-diphenyl-7,9,12,27,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,18(30),19,21,23,25,28-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20(28),21,23,25,29-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,22,24,26,29-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.022,30.023,28]hentriaconta-1(17),2,4,6,9(14),10,12,15,19(31),20,22(30),23,25,27-tetradecaene?
The IUPAC name of 26,31-diphenyl-7,9,12,26,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,18(30),19(27),20,22,24,28-tetradecaene;27,31-diphenyl-7,9,12,27,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,18(30),19,21,23,25,28-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20(28),21,23,25,29-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,22,24,26,29-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.022,30.023,28]hentriaconta-1(17),2,4,6,9(14),10,12,15,19(31),20,22(30),23,25,27-tetradecaene (CID 158831011) is 26,31-diphenyl-7,9,12,26,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,18(30),19(27),20,22,24,28-tetradecaene;27,31-diphenyl-7,9,12,27,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,18(30),19,21,23,25,28-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20(28),21,23,25,29-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,22,24,26,29-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.022,30.023,28]hentriaconta-1(17),2,4,6,9(14),10,12,15,19(31),20,22(30),23,25,27-tetradecaene.
What is the SMILES notation for 26,31-diphenyl-7,9,12,26,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,18(30),19(27),20,22,24,28-tetradecaene;27,31-diphenyl-7,9,12,27,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,18(30),19,21,23,25,28-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20(28),21,23,25,29-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,22,24,26,29-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.022,30.023,28]hentriaconta-1(17),2,4,6,9(14),10,12,15,19(31),20,22(30),23,25,27-tetradecaene?
The canonical SMILES for 26,31-diphenyl-7,9,12,26,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,18(30),19(27),20,22,24,28-tetradecaene;27,31-diphenyl-7,9,12,27,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,18(30),19,21,23,25,28-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20(28),21,23,25,29-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,22,24,26,29-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.022,30.023,28]hentriaconta-1(17),2,4,6,9(14),10,12,15,19(31),20,22(30),23,25,27-tetradecaene is c1ccc(-n2c3cc4c(cc3c3cc5c(cc32)c2cccnc2n2ccnc52)Cc2ccccc2-4)cc1.c1ccc(-n2c3cc4c5cccnc5n5ccnc5c4cc3c3c4c(ccc32)-c2ccccc2C4)cc1.c1ccc(-n2c3cc4c5cccnc5n5ccnc5c4cc3c3ccc4c(c32)-c2ccccc2C4)cc1.c1ccc(-n2c3ccccc3c3c4c5ccc6c(c7cccnc7n7ccnc67)c5n(-c5ccccc5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccc6c(c7cccnc7n7ccnc67)c5n(-c5ccccc5)c4cc32)cc1.
What is the InChIKey of 26,31-diphenyl-7,9,12,26,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,18(30),19(27),20,22,24,28-tetradecaene;27,31-diphenyl-7,9,12,27,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,18(30),19,21,23,25,28-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20(28),21,23,25,29-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,22,24,26,29-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.022,30.023,28]hentriaconta-1(17),2,4,6,9(14),10,12,15,19(31),20,22(30),23,25,27-tetradecaene?
The InChIKey is IXAVDAJDWJEGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H23N5.3C33H20N4/c1-3-10-24(11-4-1)42-30-16-8-7-14-26(30)34-31(42)19-20-32-35(34)27-17-18-29-33(36(27)43(32)25-12-5-2-6-13-25)28-15-9-21-39-37(28)41-23-22-40-38(29)41;1-3-10-24(11-4-1)42-32-16-8-7-14-26(32)30-22-31-27-17-18-29-35(28-15-9-19-39-37(28)41-21-20-40-38(29)41)36(27)43(34(31)23-33(30)42)25-12-5-2-6-13-25;1-2-8-22(9-3-1)37-29-19-26-25-11-6-14-34-32(25)36-16-15-35-33(36)28(26)18-27(29)24-13-12-21-17-20-7-4-5-10-23(20)30(21)31(24)37;1-2-8-21(9-3-1)37-29-13-12-23-22-10-5-4-7-20(22)17-26(23)31(29)28-18-27-25(19-30(28)37)24-11-6-14-34-32(24)36-16-15-35-33(27)36;1-2-8-22(9-3-1)37-30-18-25-21(15-20-7-4-5-10-23(20)25)16-27(30)28-17-29-26(19-31(28)37)24-11-6-12-34-32(24)36-14-13-35-33(29)36/h2*1-23H;2*1-16,18-19H,17H2;1-14,16-19H,15H2.
What are the key properties of 26,31-diphenyl-7,9,12,26,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,18(30),19(27),20,22,24,28-tetradecaene;27,31-diphenyl-7,9,12,27,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,18(30),19,21,23,25,28-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20(28),21,23,25,29-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,22,24,26,29-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.022,30.023,28]hentriaconta-1(17),2,4,6,9(14),10,12,15,19(31),20,22(30),23,25,27-tetradecaene?
26,31-diphenyl-7,9,12,26,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,18(30),19(27),20,22,24,28-tetradecaene;27,31-diphenyl-7,9,12,27,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,18(30),19,21,23,25,28-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20(28),21,23,25,29-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,22,24,26,29-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.022,30.023,28]hentriaconta-1(17),2,4,6,9(14),10,12,15,19(31),20,22(30),23,25,27-tetradecaene has a molecular weight of 2516.93 g/mol, XLogP of 41.57, 7 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 26,31-diphenyl-7,9,12,26,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,18(30),19(27),20,22,24,28-tetradecaene;27,31-diphenyl-7,9,12,27,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,10,12,15,18(30),19,21,23,25,28-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.020,28.021,26]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20(28),21,23,25,29-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,22,24,26,29-tetradecaene;18-phenyl-5,8,10,18-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.022,30.023,28]hentriaconta-1(17),2,4,6,9(14),10,12,15,19(31),20,22(30),23,25,27-tetradecaene is sourced from PubChem (CID 158831011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).