1,17-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22,24,26-dodecaene;1,18-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,19-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,23-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,24-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,25-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene;1,26-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene

C182H126N14 — CID 167580682

IUPAC1,17-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22,24,26-dodecaene;1,18-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,19-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,23-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,24-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,25-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene;1,26-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene
SMILESc1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cccc2c1N3c1cccnc1C2.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cccc2c1N3c1ccncc1C2.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cccc2c1N3c1cnccc1C2.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cccc2c1N3c1ncccc1C2.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccnc2c1N3c1ccccc1C2.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cncc2c1N3c1ccccc1C2.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1nccc2c1N3c1ccccc1C2
InChIInChI=1S/7C26H18N2/c1-3-7-22-16(5-1)9-18-13-25-19(12-23(18)22)11-21-15-27-14-20-10-17-6-2-4-8-24(17)28(25)26(20)21;1-3-7-21-16(5-1)11-19-15-25-20(13-22(19)21)12-18-9-10-27-23-14-17-6-2-4-8-24(17)28(25)26(18)23;1-3-7-21-16(5-1)11-19-15-25-20(13-22(19)21)14-23-26-18(9-10-27-23)12-17-6-2-4-8-24(17)28(25)26;1-2-9-22-16(5-1)11-20-15-24-21(14-23(20)22)13-18-7-3-6-17-12-19-8-4-10-27-26(19)28(24)25(17)18;1-2-8-21-16(5-1)11-19-15-25-20(13-22(19)21)12-17-6-3-7-18-14-23-24(9-4-10-27-23)28(25)26(17)18;1-2-7-22-16(4-1)10-20-14-24-21(13-23(20)22)12-19-6-3-5-18-11-17-8-9-27-15-25(17)28(24)26(18)19;1-2-7-22-16(4-1)10-19-14-25-20(13-23(19)22)11-17-5-3-6-18-12-21-15-27-9-8-24(21)28(25)26(17)18/h1-8,12-15H,9-11H2;2*1-10,13,15H,11-12,14H2;1-10,14-15H,11-13H2;1-10,13,15H,11-12,14H2;2*1-9,13-15H,10-12H2
InChIKeyHDGJCFOYWPVHDS-UHFFFAOYSA-N
MW2509.11 g/mol
LogP41.52
Rot. Bonds

About 1,17-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22,24,26-dodecaene;1,18-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,19-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,23-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,24-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,25-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene;1,26-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene

1,17-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22,24,26-dodecaene;1,18-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,19-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,23-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,24-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,25-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene;1,26-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene (PubChem CID 167580682) has the molecular formula C182H126N14 and a molecular weight of 2509.11 g/mol. Its IUPAC name is 1,17-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22,24,26-dodecaene;1,18-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,19-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,23-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,24-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,25-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene;1,26-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene.

Molecular Properties

Compound Name1,17-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22,24,26-dodecaene;1,18-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,19-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,23-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,24-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,25-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene;1,26-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene
PubChem CID167580682
Molecular FormulaC182H126N14
Molecular Weight2509.11 g/mol
Exact Mass2507.03
IUPAC Name1,17-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22,24,26-dodecaene;1,18-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,19-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,23-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,24-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,25-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene;1,26-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene
SMILESc1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cccc2c1N3c1cccnc1C2.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cccc2c1N3c1ccncc1C2.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cccc2c1N3c1cnccc1C2.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cccc2c1N3c1ncccc1C2.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccnc2c1N3c1ccccc1C2.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cncc2c1N3c1ccccc1C2.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1nccc2c1N3c1ccccc1C2
InChIInChI=1S/7C26H18N2/c1-3-7-22-16(5-1)9-18-13-25-19(12-23(18)22)11-21-15-27-14-20-10-17-6-2-4-8-24(17)28(25)26(20)21;1-3-7-21-16(5-1)11-19-15-25-20(13-22(19)21)12-18-9-10-27-23-14-17-6-2-4-8-24(17)28(25)26(18)23;1-3-7-21-16(5-1)11-19-15-25-20(13-22(19)21)14-23-26-18(9-10-27-23)12-17-6-2-4-8-24(17)28(25)26;1-2-9-22-16(5-1)11-20-15-24-21(14-23(20)22)13-18-7-3-6-17-12-19-8-4-10-27-26(19)28(24)25(17)18;1-2-8-21-16(5-1)11-19-15-25-20(13-22(19)21)12-17-6-3-7-18-14-23-24(9-4-10-27-23)28(25)26(17)18;1-2-7-22-16(4-1)10-20-14-24-21(13-23(20)22)12-19-6-3-5-18-11-17-8-9-27-15-25(17)28(24)26(18)19;1-2-7-22-16(4-1)10-19-14-25-20(13-23(19)22)11-17-5-3-6-18-12-21-15-27-9-8-24(21)28(25)26(17)18/h1-8,12-15H,9-11H2;2*1-10,13,15H,11-12,14H2;1-10,14-15H,11-13H2;1-10,13,15H,11-12,14H2;2*1-9,13-15H,10-12H2
InChIKeyHDGJCFOYWPVHDS-UHFFFAOYSA-N
XLogP41.52
TPSA112.91 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002509.11
LogP ≤ 541.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1,17-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22,24,26-dodecaene;1,18-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,19-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,23-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,24-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,25-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene;1,26-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene with MolForge

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Related Compounds

1,30-diazanonacyclo[21.11.1.02,21.04,19.06,18.07,15.08,13.027,35.029,34]pentatriaconta-2,4(19),6(18),7(15),8,10,12,16,20,23(35),24,26,29(34),30,32-pentadecaene;1,31-diazanonacyclo[21.11.1.02,21.04,19.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2,4(19),6(18),7(15),9,11,13,16,20,23(35),24,26,29(34),30,32-pentadecaene;1,32-diazanonacyclo[21.11.1.02,21.04,19.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2,4(19),6(18),7(15),9,11,13,16,20,23,25,27(35),29(34),30,32-pentadecaene;1,33-diazanonacyclo[21.11.1.02,21.04,19.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2,4(19),6(18),7(15),9,11,13,16,20,23,25,27(35),29(34),30,32-pentadecaene
CID 167586017
1,30-diazanonacyclo[21.11.1.02,21.04,19.06,18.08,16.09,14.027,35.029,34]pentatriaconta-2,4(19),6(18),7,9,11,13,16,20,23(35),24,26,29(34),30,32-pentadecaene;1,30-diazanonacyclo[21.11.1.02,21.04,19.06,18.08,16.010,15.027,35.029,34]pentatriaconta-2,4(19),6(18),7,10,12,14,16,20,23(35),24,26,29(34),30,32-pentadecaene;1,31-diazanonacyclo[21.11.1.02,21.04,19.06,18.08,16.010,15.027,35.029,34]pentatriaconta-2,4(19),6(18),7,10,12,14,16,20,23(35),24,26,29(34),30,32-pentadecaene;1,32-diazanonacyclo[21.11.1.02,21.04,19.06,18.08,16.010,15.027,35.029,34]pentatriaconta-2,4(19),6(18),7,10,12,14,16,20,23,25,27(35),29(34),30,32-pentadecaene;1,33-diazanonacyclo[21.11.1.02,21.04,19.06,18.07,15.08,13.027,35.029,34]pentatriaconta-2,4(19),6(18),7(15),8,10,12,16,20,23,25,27(35),29(34),30,32-pentadecaene;1,33-diazanonacyclo[21.11.1.02,21.04,19.06,18.08,16.010,15.027,35.029,34]pentatriaconta-2,4(19),6(18),7,10,12,14,16,20,23,25,27(35),29(34),30,32-pentadecaene
CID 167555788
1,17-diazaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16,18,20(28),22,24,26-dodecaene;1,18-diazaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;1,19-diazaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;1,26-diazaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16,18,20(28),22(27),23,25-dodecaene;9,13-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;9,14-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
CID 167580218
1,17-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22,24,26-dodecaene;1,18-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene;1,19-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene;1,24-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22(27),23,25-dodecaene;1,25-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22(27),23,25-dodecaene;1,26-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22(27),23,25-dodecaene
CID 167600458
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[17.15.1.02,17.04,16.06,14.07,12.021,26.027,35.028,33]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
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
CID 167574062
CID 167574062
1,26,30-triazanonacyclo[21.11.1.02,21.04,19.06,18.08,16.09,14.027,35.029,34]pentatriaconta-2,4(19),6(18),7,9,11,13,16,20,23(35),24,26,29(34),30,32-pentadecaene
CID 167555340
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
1,24-diazanonacyclo[21.11.1.02,21.04,19.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2,4(19),6(18),7(15),9,11,13,16,20,23,25,27(35),29,31,33-pentadecaene;1,25-diazanonacyclo[21.11.1.02,21.04,19.06,18.07,15.08,13.027,35.029,34]pentatriaconta-2,4(19),6(18),7(15),8,10,12,16,20,23(35),24,26,29,31,33-pentadecaene;1,25-diazanonacyclo[21.11.1.02,21.04,19.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2,4(19),6(18),7(15),9,11,13,16,20,23(35),24,26,29,31,33-pentadecaene;1,26-diazanonacyclo[21.11.1.02,21.04,19.06,18.07,15.08,13.027,35.029,34]pentatriaconta-2,4(19),6(18),7(15),8,10,12,16,20,23(35),24,26,29,31,33-pentadecaene;1,26-diazanonacyclo[21.11.1.02,21.04,19.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2,4(19),6(18),7(15),9,11,13,16,20,23(35),24,26,29,31,33-pentadecaene
CID 167574631

Frequently Asked Questions

What is the IUPAC name of 1,17-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22,24,26-dodecaene;1,18-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,19-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,23-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,24-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,25-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene;1,26-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene?
The IUPAC name of 1,17-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22,24,26-dodecaene;1,18-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,19-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,23-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,24-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,25-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene;1,26-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene (CID 167580682) is 1,17-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22,24,26-dodecaene;1,18-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,19-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,23-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,24-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,25-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene;1,26-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene.
What is the SMILES notation for 1,17-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22,24,26-dodecaene;1,18-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,19-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,23-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,24-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,25-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene;1,26-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene?
The canonical SMILES for 1,17-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22,24,26-dodecaene;1,18-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,19-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,23-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,24-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,25-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene;1,26-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene is c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cccc2c1N3c1cccnc1C2.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cccc2c1N3c1ccncc1C2.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cccc2c1N3c1cnccc1C2.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cccc2c1N3c1ncccc1C2.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccnc2c1N3c1ccccc1C2.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cncc2c1N3c1ccccc1C2.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1nccc2c1N3c1ccccc1C2.
What is the InChIKey of 1,17-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22,24,26-dodecaene;1,18-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,19-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,23-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,24-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,25-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene;1,26-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene?
The InChIKey is HDGJCFOYWPVHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/7C26H18N2/c1-3-7-22-16(5-1)9-18-13-25-19(12-23(18)22)11-21-15-27-14-20-10-17-6-2-4-8-24(17)28(25)26(20)21;1-3-7-21-16(5-1)11-19-15-25-20(13-22(19)21)12-18-9-10-27-23-14-17-6-2-4-8-24(17)28(25)26(18)23;1-3-7-21-16(5-1)11-19-15-25-20(13-22(19)21)14-23-26-18(9-10-27-23)12-17-6-2-4-8-24(17)28(25)26;1-2-9-22-16(5-1)11-20-15-24-21(14-23(20)22)13-18-7-3-6-17-12-19-8-4-10-27-26(19)28(24)25(17)18;1-2-8-21-16(5-1)11-19-15-25-20(13-22(19)21)12-17-6-3-7-18-14-23-24(9-4-10-27-23)28(25)26(17)18;1-2-7-22-16(4-1)10-20-14-24-21(13-23(20)22)12-19-6-3-5-18-11-17-8-9-27-15-25(17)28(24)26(18)19;1-2-7-22-16(4-1)10-19-14-25-20(13-23(19)22)11-17-5-3-6-18-12-21-15-27-9-8-24(21)28(25)26(17)18/h1-8,12-15H,9-11H2;2*1-10,13,15H,11-12,14H2;1-10,14-15H,11-13H2;1-10,13,15H,11-12,14H2;2*1-9,13-15H,10-12H2.
What are the key properties of 1,17-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22,24,26-dodecaene;1,18-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,19-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,23-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,24-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,25-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene;1,26-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene?
1,17-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22,24,26-dodecaene;1,18-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,19-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,23-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,24-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,25-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene;1,26-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene has a molecular weight of 2509.11 g/mol, XLogP of 41.52, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,17-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22,24,26-dodecaene;1,18-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,19-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22,24,26-dodecaene;1,23-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,24-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene;1,25-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene;1,26-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene is sourced from PubChem (CID 167580682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).