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

C132H88N8 — CID 167586017

IUPAC1,30-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
SMILESc1ccc2c(c1)Cc1c-2ccc2c1Cc1cc3c(cc1-2)Cc1cccc2c1N3c1ccncc1C2.c1ccc2c(c1)Cc1c-2ccc2c1Cc1cc3c(cc1-2)Cc1cccc2c1N3c1cnccc1C2.c1ccc2c(c1)Cc1c-2ccc2c1Cc1cc3c(cc1-2)Cc1cccc2c1N3c1ncccc1C2.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1cc2c(cc1-3)Cc1cccc3c1N2c1cccnc1C3
InChIInChI=1S/4C33H22N2/c1-2-9-25-19(5-1)15-29-26(25)10-11-27-28-17-24-14-21-7-3-6-20-13-22-8-4-12-34-33(22)35(32(20)21)31(24)18-23(28)16-30(27)29;1-2-8-25-19(5-1)13-20-10-11-26-27-16-24-14-21-6-3-7-22-17-29-30(9-4-12-34-29)35(33(21)22)31(24)18-23(27)15-28(26)32(20)25;1-2-7-25-19(4-1)14-29-26(25)8-9-27-28-16-24-13-22-6-3-5-21-12-20-10-11-34-18-32(20)35(33(21)22)31(24)17-23(28)15-30(27)29;1-2-7-25-19(4-1)14-29-26(25)8-9-27-28-16-23-12-20-5-3-6-21-13-24-18-34-11-10-31(24)35(33(20)21)32(23)17-22(28)15-30(27)29/h1-12,17-18H,13-16H2;1-12,16,18H,13-15,17H2;2*1-11,16-18H,12-15H2
InChIKeyHUURJUUCUYRQTO-UHFFFAOYSA-N
MW1786.21 g/mol
LogP30.01
Rot. Bonds

About 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

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 (PubChem CID 167586017) has the molecular formula C132H88N8 and a molecular weight of 1786.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,30-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
PubChem CID167586017
Molecular FormulaC132H88N8
Molecular Weight1786.21 g/mol
Exact Mass1784.71
IUPAC Name1,30-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
SMILESc1ccc2c(c1)Cc1c-2ccc2c1Cc1cc3c(cc1-2)Cc1cccc2c1N3c1ccncc1C2.c1ccc2c(c1)Cc1c-2ccc2c1Cc1cc3c(cc1-2)Cc1cccc2c1N3c1cnccc1C2.c1ccc2c(c1)Cc1c-2ccc2c1Cc1cc3c(cc1-2)Cc1cccc2c1N3c1ncccc1C2.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1cc2c(cc1-3)Cc1cccc3c1N2c1cccnc1C3
InChIInChI=1S/4C33H22N2/c1-2-9-25-19(5-1)15-29-26(25)10-11-27-28-17-24-14-21-7-3-6-20-13-22-8-4-12-34-33(22)35(32(20)21)31(24)18-23(28)16-30(27)29;1-2-8-25-19(5-1)13-20-10-11-26-27-16-24-14-21-6-3-7-22-17-29-30(9-4-12-34-29)35(33(21)22)31(24)18-23(27)15-28(26)32(20)25;1-2-7-25-19(4-1)14-29-26(25)8-9-27-28-16-24-13-22-6-3-5-21-12-20-10-11-34-18-32(20)35(33(21)22)31(24)17-23(28)15-30(27)29;1-2-7-25-19(4-1)14-29-26(25)8-9-27-28-16-23-12-20-5-3-6-21-13-24-18-34-11-10-31(24)35(33(20)21)32(23)17-22(28)15-30(27)29/h1-12,17-18H,13-16H2;1-12,16,18H,13-15,17H2;2*1-11,16-18H,12-15H2
InChIKeyHUURJUUCUYRQTO-UHFFFAOYSA-N
XLogP30.01
TPSA64.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001786.21
LogP ≤ 530.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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[14.11.1.02,14.04,12.06,11.020,28.022,27]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
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
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
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;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
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-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
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
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
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 1,30-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)Cc1c-2ccc2c1Cc1cc3c(cc1-2)Cc1cccc2c1N3c1ccncc1C2.c1ccc2c(c1)Cc1c-2ccc2c1Cc1cc3c(cc1-2)Cc1cccc2c1N3c1cnccc1C2.c1ccc2c(c1)Cc1c-2ccc2c1Cc1cc3c(cc1-2)Cc1cccc2c1N3c1ncccc1C2.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1cc2c(cc1-3)Cc1cccc3c1N2c1cccnc1C3.
What is the InChIKey of 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?
The InChIKey is HUURJUUCUYRQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/4C33H22N2/c1-2-9-25-19(5-1)15-29-26(25)10-11-27-28-17-24-14-21-7-3-6-20-13-22-8-4-12-34-33(22)35(32(20)21)31(24)18-23(28)16-30(27)29;1-2-8-25-19(5-1)13-20-10-11-26-27-16-24-14-21-6-3-7-22-17-29-30(9-4-12-34-29)35(33(21)22)31(24)18-23(27)15-28(26)32(20)25;1-2-7-25-19(4-1)14-29-26(25)8-9-27-28-16-24-13-22-6-3-5-21-12-20-10-11-34-18-32(20)35(33(21)22)31(24)17-23(28)15-30(27)29;1-2-7-25-19(4-1)14-29-26(25)8-9-27-28-16-23-12-20-5-3-6-21-13-24-18-34-11-10-31(24)35(33(20)21)32(23)17-22(28)15-30(27)29/h1-12,17-18H,13-16H2;1-12,16,18H,13-15,17H2;2*1-11,16-18H,12-15H2.
What are the key properties of 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?
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 has a molecular weight of 1786.21 g/mol, XLogP of 30.01, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167586017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).