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;1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(34),23(31),24,26,28,32-pentadecaene

C264H176N16 — CID 167705076

IUPAC1,3-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;1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(34),23(31),24,26,28,32-pentadecaene
SMILESc1ccc2c(c1)Cc1c-2cc2c3c1Cc1cccnc1N3c1ccc3c(c1C2)-c1ccccc1C3.c1ccc2c(c1)Cc1c-2cc2c3c1Cc1ccncc1N3c1ccc3c(c1C2)-c1ccccc1C3.c1ccc2c(c1)Cc1c-2cc2c3c1Cc1cnccc1N3c1ccc3c(c1C2)-c1ccccc1C3.c1ccc2c(c1)Cc1c-2cc2c3c1Cc1ncccc1N3c1ccc3c(c1C2)-c1ccccc1C3.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
InChIInChI=1S/8C33H22N2/c1-3-9-24-20(7-1)15-27-26(24)17-23-18-29-30(12-11-21-14-19-6-2-4-10-25(19)31(21)29)35-32(23)28(27)16-22-8-5-13-34-33(22)35;1-3-8-23-20(7-1)15-26-25(23)16-22-17-28-30(12-11-21-14-19-6-2-4-9-24(19)32(21)28)35-31-10-5-13-34-29(31)18-27(26)33(22)35;1-3-9-25-19(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)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;1-3-7-24-20(6-1)14-27-26(24)16-23-17-29-30(10-9-22-13-19-5-2-4-8-25(19)32(22)29)35-31-18-34-12-11-21(31)15-28(27)33(23)35;1-3-7-24-20(6-1)14-27-26(24)15-22-16-29-31(10-9-21-13-19-5-2-4-8-25(19)32(21)29)35-30-11-12-34-18-23(30)17-28(27)33(22)35;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/h1-13,17H,14-16,18H2;3*1-13,16H,14-15,17-18H2;1-12,16,18H,13-15,17H2;3*1-12,15,18H,13-14,16-17H2
InChIKeyYZFQONQRZIYKIJ-UHFFFAOYSA-N
MW3572.42 g/mol
LogP60.02
Rot. Bonds

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;1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(34),23(31),24,26,28,32-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;1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(34),23(31),24,26,28,32-pentadecaene (PubChem CID 167705076) has the molecular formula C264H176N16 and a molecular weight of 3572.42 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;1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(34),23(31),24,26,28,32-pentadecaene.

Molecular Properties

Compound Name1,3-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;1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(34),23(31),24,26,28,32-pentadecaene
PubChem CID167705076
Molecular FormulaC264H176N16
Molecular Weight3572.42 g/mol
Exact Mass3569.43
IUPAC Name1,3-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;1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(34),23(31),24,26,28,32-pentadecaene
SMILESc1ccc2c(c1)Cc1c-2cc2c3c1Cc1cccnc1N3c1ccc3c(c1C2)-c1ccccc1C3.c1ccc2c(c1)Cc1c-2cc2c3c1Cc1ccncc1N3c1ccc3c(c1C2)-c1ccccc1C3.c1ccc2c(c1)Cc1c-2cc2c3c1Cc1cnccc1N3c1ccc3c(c1C2)-c1ccccc1C3.c1ccc2c(c1)Cc1c-2cc2c3c1Cc1ncccc1N3c1ccc3c(c1C2)-c1ccccc1C3.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
InChIInChI=1S/8C33H22N2/c1-3-9-24-20(7-1)15-27-26(24)17-23-18-29-30(12-11-21-14-19-6-2-4-10-25(19)31(21)29)35-32(23)28(27)16-22-8-5-13-34-33(22)35;1-3-8-23-20(7-1)15-26-25(23)16-22-17-28-30(12-11-21-14-19-6-2-4-9-24(19)32(21)28)35-31-10-5-13-34-29(31)18-27(26)33(22)35;1-3-9-25-19(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)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;1-3-7-24-20(6-1)14-27-26(24)16-23-17-29-30(10-9-22-13-19-5-2-4-8-25(19)32(22)29)35-31-18-34-12-11-21(31)15-28(27)33(23)35;1-3-7-24-20(6-1)14-27-26(24)15-22-16-29-31(10-9-21-13-19-5-2-4-8-25(19)32(21)29)35-30-11-12-34-18-23(30)17-28(27)33(22)35;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/h1-13,17H,14-16,18H2;3*1-13,16H,14-15,17-18H2;1-12,16,18H,13-15,17H2;3*1-12,15,18H,13-14,16-17H2
InChIKeyYZFQONQRZIYKIJ-UHFFFAOYSA-N
XLogP60.02
TPSA129.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms280
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003572.42
LogP ≤ 560.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 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;1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(34),23(31),24,26,28,32-pentadecaene with MolForge

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Related Compounds

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
4,9-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10,12,14,17(28),18(26),20,22,24-dodecaene;5,9-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10,12,14,17(28),18(26),20,22,24-dodecaene;6,9-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10,12,14,17(28),18(26),20,22,24-dodecaene;7,9-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10,12,14,17(28),18(26),20,22,24-dodecaene;9,11-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3,5,7,10(15),11,13,17(28),18(26),20,22,24-dodecaene;9,13-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10(15),11,13,17,19,21,23,26-dodecaene;9,14-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10(15),11,13,17,19,21,23,26-dodecaene
CID 167557266
5,9,11-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3(8),4,6,10(15),11,13,17,19,21,23,26-dodecaene;5,9,12-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3(8),4,6,10(15),11,13,17,19,21,23,26-dodecaene;6,9,12-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3(8),4,6,10(15),11,13,17,19,21,23,26-dodecaene;6,9,13-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3(8),4,6,10(15),11,13,17,19,21,23,26-dodecaene;6,9,14-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3(8),4,6,10(15),11,13,17,19,21,23,26-dodecaene
CID 167554421
27,29-diazanonacyclo[17.15.1.02,17.04,16.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5(13),6,8,10,14,18,21,23,25,28(33),29,31-pentadecaene;27,29-diazanonacyclo[17.15.1.02,17.04,16.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5(13),7,9,11,14,18,21,23,25,28(33),29,31-pentadecaene;27,29-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21,23,25,28(33),29,31-pentadecaene;27,30-diazanonacyclo[17.15.1.02,17.04,16.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5(13),6,8,10,14,18,21,23,25,28(33),29,31-pentadecaene;27,30-diazanonacyclo[17.15.1.02,17.04,16.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5(13),7,9,11,14,18,21,23,25,28(33),29,31-pentadecaene;27,30-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21,23,25,28(33),29,31-pentadecaene;27,31-diazanonacyclo[17.15.1.02,17.04,16.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5(13),6,8,10,14,18,21,23,25,28(33),29,31-pentadecaene;27,31-diazanonacyclo[17.15.1.02,17.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7,9,11,14,18,21,23,25,28(33),29,31-pentadecaene;27,31-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21,23,25,28(33),29,31-pentadecaene;27,32-diazanonacyclo[17.15.1.02,17.04,16.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5(13),6,8,10,14,18,21,23,25,28(33),29,31-pentadecaene;27,32-diazanonacyclo[17.15.1.02,17.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7,9,11,14,18,21,23,25,28(33),29,31-pentadecaene;27,32-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21,23,25,28(33),29,31-pentadecaene
CID 167708814
22,27-diazanonacyclo[17.15.1.02,17.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7,9,11,14,18,21(26),22,24,28,30,32-pentadecaene;23,27-diazanonacyclo[17.15.1.02,17.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7,9,11,14,18,21(26),22,24,28,30,32-pentadecaene;24,27-diazanonacyclo[17.15.1.02,17.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7,9,11,14,18,21(26),22,24,28,30,32-pentadecaene;24,27-diazanonacyclo[17.15.1.02,17.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),9,11,13,18,21(26),22,24,28,30,32-pentadecaene;25,27-diazanonacyclo[17.15.1.02,17.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),9,11,13,18,21(26),22,24,28,30,32-pentadecaene
CID 167636493
4,9,13-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10(15),11,13,17(28),18(26),20,22,24-dodecaene;5,9,13-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10(15),11,13,17(28),18(26),20,22,24-dodecaene;5,9,14-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10(15),11,13,17(28),18(26),20,22,24-dodecaene;6,9,13-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10(15),11,13,17(28),18(26),20,22,24-dodecaene;6,9,14-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10(15),11,13,17(28),18(26),20,22,24-dodecaene;7,9,14-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10(15),11,13,17(28),18(26),20,22,24-dodecaene
CID 167566000
22,27-diazanonacyclo[17.15.1.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1,3(15),4,6,8,10,13,17,19(35),21(26),22,24,28,30,32-pentadecaene;22,27-diazanonacyclo[17.15.1.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1,3(15),4,7,9,11,13,17,19(35),21(26),22,24,28,30,32-pentadecaene;23,27-diazanonacyclo[17.15.1.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1,3(15),4,6,8,10,13,17,19(35),21(26),22,24,28,30,32-pentadecaene;23,27-diazanonacyclo[17.15.1.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1,3(15),4,7,9,11,13,17,19(35),21(26),22,24,28,30,32-pentadecaene;24,27-diazanonacyclo[17.15.1.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(35),2(17),3(15),4,6,8,10,13,18,21(26),22,24,28,30,32-pentadecaene;24,27-diazanonacyclo[17.15.1.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(35),2(17),3(15),4,7,9,11,13,18,21(26),22,24,28,30,32-pentadecaene;25,27-diazanonacyclo[17.15.1.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(35),2(17),3(15),4,7,9,11,13,18,21(26),22,24,28,30,32-pentadecaene
CID 167623444
22,27-diazanonacyclo[17.15.1.02,17.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),9,11,13,18,21(26),22,24,28,30,32-pentadecaene;23,27-diazanonacyclo[17.15.1.02,17.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),9,11,13,18,21(26),22,24,28,30,32-pentadecaene;24,27-diazanonacyclo[17.15.1.02,17.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),9,11,13,18,21(26),22,24,28,30,32-pentadecaene;25,27-diazanonacyclo[17.15.1.02,17.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),9,11,13,18,21(26),22,24,28,30,32-pentadecaene
CID 167557650
22,27-diazanonacyclo[17.15.1.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1,3(15),4,6,8,10,13,17,19(35),21(26),22,24,28,30,32-pentadecaene;23,27-diazanonacyclo[17.15.1.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1,3(15),4,6,8,10,13,17,19(35),21(26),22,24,28,30,32-pentadecaene;24,27-diazanonacyclo[17.15.1.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(35),2(17),3(15),4,6,8,10,13,18,21(26),22,24,28,30,32-pentadecaene;25,27-diazanonacyclo[17.15.1.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(35),2(17),3(15),4,6,8,10,13,18,21(26),22,24,28,30,32-pentadecaene
CID 167633122
1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.025,33.026,31]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23,25(33),26,28,30-pentadecaene;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.025,33.026,31]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23,25(33),26,28,30-pentadecaene;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.025,33.026,31]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23,25(33),26,28,30-pentadecaene;15,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.022,30.024,29]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22(30),24,26,28,31-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.022,30.024,29]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21(33),22(30),24,26,28,31-pentadecaene
CID 167646879
22,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;23,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;24,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene;25,27,29-triazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31-pentadecaene
CID 167645209
1,19-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16(35),17,19,22(34),23(31),25,27,29,32-pentadecaene;16,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene;18,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.025,30]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),25,27,29-pentadecaene
CID 167630710

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;1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(34),23(31),24,26,28,32-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;1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(34),23(31),24,26,28,32-pentadecaene (CID 167705076) 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;1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(34),23(31),24,26,28,32-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;1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(34),23(31),24,26,28,32-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;1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(34),23(31),24,26,28,32-pentadecaene is c1ccc2c(c1)Cc1c-2cc2c3c1Cc1cccnc1N3c1ccc3c(c1C2)-c1ccccc1C3.c1ccc2c(c1)Cc1c-2cc2c3c1Cc1ccncc1N3c1ccc3c(c1C2)-c1ccccc1C3.c1ccc2c(c1)Cc1c-2cc2c3c1Cc1cnccc1N3c1ccc3c(c1C2)-c1ccccc1C3.c1ccc2c(c1)Cc1c-2cc2c3c1Cc1ncccc1N3c1ccc3c(c1C2)-c1ccccc1C3.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;1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(34),23(31),24,26,28,32-pentadecaene?
The InChIKey is YZFQONQRZIYKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/8C33H22N2/c1-3-9-24-20(7-1)15-27-26(24)17-23-18-29-30(12-11-21-14-19-6-2-4-10-25(19)31(21)29)35-32(23)28(27)16-22-8-5-13-34-33(22)35;1-3-8-23-20(7-1)15-26-25(23)16-22-17-28-30(12-11-21-14-19-6-2-4-9-24(19)32(21)28)35-31-10-5-13-34-29(31)18-27(26)33(22)35;1-3-9-25-19(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)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;1-3-7-24-20(6-1)14-27-26(24)16-23-17-29-30(10-9-22-13-19-5-2-4-8-25(19)32(22)29)35-31-18-34-12-11-21(31)15-28(27)33(23)35;1-3-7-24-20(6-1)14-27-26(24)15-22-16-29-31(10-9-21-13-19-5-2-4-8-25(19)32(21)29)35-30-11-12-34-18-23(30)17-28(27)33(22)35;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/h1-13,17H,14-16,18H2;3*1-13,16H,14-15,17-18H2;1-12,16,18H,13-15,17H2;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;1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(34),23(31),24,26,28,32-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;1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(34),23(31),24,26,28,32-pentadecaene has a molecular weight of 3572.42 g/mol, XLogP of 60.02, 0 rotatable bonds, 0 hydrogen bond donors, and 16 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;1,3-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,5-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(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;1,6-diazanonacyclo[18.14.1.02,7.09,35.010,18.012,17.022,34.023,31.024,29]pentatriaconta-2(7),3,5,9(35),10(18),12,14,16,19,22(34),23(31),24,26,28,32-pentadecaene is sourced from PubChem (CID 167705076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).