1,24-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),29,31,33-pentadecaene;1,24-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),29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene

C198H132N12 — CID 167593307

IUPAC1,24-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),29,31,33-pentadecaene;1,24-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),29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene
SMILESc1ccc2c(c1)Cc1cc3c(cc1-2)-c1cc2c(cc1C3)N1c3ccccc3Cc3ccnc(c31)C2.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1cc2c(cc1C3)N1c3ccccc3Cc3cncc(c31)C2.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1cc2c(cc1C3)N1c3ccccc3Cc3nccc(c31)C2.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc2c(cc1-3)Cc1ccnc3c1N2c1ccccc1C3.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc2c(cc1-3)Cc1cncc3c1N2c1ccccc1C3.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1cc2c(cc1-3)Cc1nccc3c1N2c1ccccc1C3
InChIInChI=1S/6C33H22N2/c1-3-7-27-19(5-1)9-21-14-29-22(13-28(21)27)11-23-16-32-24(15-30(23)29)12-26-18-34-17-25-10-20-6-2-4-8-31(20)35(32)33(25)26;1-3-7-27-19(5-1)9-21-11-22-12-23-15-32-24(14-28(23)30(22)16-29(21)27)13-26-18-34-17-25-10-20-6-2-4-8-31(20)35(32)33(25)26;1-3-7-26-19(5-1)11-22-15-28-23(14-27(22)26)13-24-18-32-25(16-29(24)28)12-21-9-10-34-30-17-20-6-2-4-8-31(20)35(32)33(21)30;1-3-7-26-19(5-1)11-22-13-23-14-24-17-32-25(15-27(24)29(23)18-28(22)26)12-21-9-10-34-30-16-20-6-2-4-8-31(20)35(32)33(21)30;1-3-7-26-19(5-1)11-22-13-23-14-24-17-32-25(15-27(24)29(23)18-28(22)26)16-30-33-21(9-10-34-30)12-20-6-2-4-8-31(20)35(32)33;1-3-7-25-19(5-1)13-21-9-10-26-27-16-24-17-29-33-22(11-12-34-29)14-20-6-2-4-8-30(20)35(33)31(24)18-23(27)15-28(26)32(21)25/h1-8,13-18H,9-12H2;1-8,11,14-18H,9-10,12-13H2;1-10,14-16,18H,11-13,17H2;2*1-10,13,15,17-18H,11-12,14,16H2;1-12,16,18H,13-15,17H2
InChIKeyIRYDTYHXJYEQJV-UHFFFAOYSA-N
MW2679.32 g/mol
LogP45.01
Rot. Bonds

About 1,24-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),29,31,33-pentadecaene;1,24-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),29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene

1,24-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),29,31,33-pentadecaene;1,24-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),29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene (PubChem CID 167593307) has the molecular formula C198H132N12 and a molecular weight of 2679.32 g/mol. Its IUPAC name is 1,24-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),29,31,33-pentadecaene;1,24-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),29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene.

Molecular Properties

Compound Name1,24-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),29,31,33-pentadecaene;1,24-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),29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene
PubChem CID167593307
Molecular FormulaC198H132N12
Molecular Weight2679.32 g/mol
Exact Mass2677.07
IUPAC Name1,24-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),29,31,33-pentadecaene;1,24-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),29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene
SMILESc1ccc2c(c1)Cc1cc3c(cc1-2)-c1cc2c(cc1C3)N1c3ccccc3Cc3ccnc(c31)C2.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1cc2c(cc1C3)N1c3ccccc3Cc3cncc(c31)C2.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1cc2c(cc1C3)N1c3ccccc3Cc3nccc(c31)C2.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc2c(cc1-3)Cc1ccnc3c1N2c1ccccc1C3.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc2c(cc1-3)Cc1cncc3c1N2c1ccccc1C3.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1cc2c(cc1-3)Cc1nccc3c1N2c1ccccc1C3
InChIInChI=1S/6C33H22N2/c1-3-7-27-19(5-1)9-21-14-29-22(13-28(21)27)11-23-16-32-24(15-30(23)29)12-26-18-34-17-25-10-20-6-2-4-8-31(20)35(32)33(25)26;1-3-7-27-19(5-1)9-21-11-22-12-23-15-32-24(14-28(23)30(22)16-29(21)27)13-26-18-34-17-25-10-20-6-2-4-8-31(20)35(32)33(25)26;1-3-7-26-19(5-1)11-22-15-28-23(14-27(22)26)13-24-18-32-25(16-29(24)28)12-21-9-10-34-30-17-20-6-2-4-8-31(20)35(32)33(21)30;1-3-7-26-19(5-1)11-22-13-23-14-24-17-32-25(15-27(24)29(23)18-28(22)26)12-21-9-10-34-30-16-20-6-2-4-8-31(20)35(32)33(21)30;1-3-7-26-19(5-1)11-22-13-23-14-24-17-32-25(15-27(24)29(23)18-28(22)26)16-30-33-21(9-10-34-30)12-20-6-2-4-8-31(20)35(32)33;1-3-7-25-19(5-1)13-21-9-10-26-27-16-24-17-29-33-22(11-12-34-29)14-20-6-2-4-8-30(20)35(33)31(24)18-23(27)15-28(26)32(21)25/h1-8,13-18H,9-12H2;1-8,11,14-18H,9-10,12-13H2;1-10,14-16,18H,11-13,17H2;2*1-10,13,15,17-18H,11-12,14,16H2;1-12,16,18H,13-15,17H2
InChIKeyIRYDTYHXJYEQJV-UHFFFAOYSA-N
XLogP45.01
TPSA96.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms210
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002679.32
LogP ≤ 545.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1,24-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),29,31,33-pentadecaene;1,24-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),29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1,24-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),29,31,33-pentadecaene;1,24-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),29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene?
The IUPAC name of 1,24-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),29,31,33-pentadecaene;1,24-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),29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene (CID 167593307) is 1,24-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),29,31,33-pentadecaene;1,24-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),29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene.
What is the SMILES notation for 1,24-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),29,31,33-pentadecaene;1,24-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),29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene?
The canonical SMILES for 1,24-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),29,31,33-pentadecaene;1,24-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),29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene is c1ccc2c(c1)Cc1cc3c(cc1-2)-c1cc2c(cc1C3)N1c3ccccc3Cc3ccnc(c31)C2.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1cc2c(cc1C3)N1c3ccccc3Cc3cncc(c31)C2.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1cc2c(cc1C3)N1c3ccccc3Cc3nccc(c31)C2.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc2c(cc1-3)Cc1ccnc3c1N2c1ccccc1C3.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc2c(cc1-3)Cc1cncc3c1N2c1ccccc1C3.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1cc2c(cc1-3)Cc1nccc3c1N2c1ccccc1C3.
What is the InChIKey of 1,24-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),29,31,33-pentadecaene;1,24-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),29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene?
The InChIKey is IRYDTYHXJYEQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/6C33H22N2/c1-3-7-27-19(5-1)9-21-14-29-22(13-28(21)27)11-23-16-32-24(15-30(23)29)12-26-18-34-17-25-10-20-6-2-4-8-31(20)35(32)33(25)26;1-3-7-27-19(5-1)9-21-11-22-12-23-15-32-24(14-28(23)30(22)16-29(21)27)13-26-18-34-17-25-10-20-6-2-4-8-31(20)35(32)33(25)26;1-3-7-26-19(5-1)11-22-15-28-23(14-27(22)26)13-24-18-32-25(16-29(24)28)12-21-9-10-34-30-17-20-6-2-4-8-31(20)35(32)33(21)30;1-3-7-26-19(5-1)11-22-13-23-14-24-17-32-25(15-27(24)29(23)18-28(22)26)12-21-9-10-34-30-16-20-6-2-4-8-31(20)35(32)33(21)30;1-3-7-26-19(5-1)11-22-13-23-14-24-17-32-25(15-27(24)29(23)18-28(22)26)16-30-33-21(9-10-34-30)12-20-6-2-4-8-31(20)35(32)33;1-3-7-25-19(5-1)13-21-9-10-26-27-16-24-17-29-33-22(11-12-34-29)14-20-6-2-4-8-30(20)35(33)31(24)18-23(27)15-28(26)32(21)25/h1-8,13-18H,9-12H2;1-8,11,14-18H,9-10,12-13H2;1-10,14-16,18H,11-13,17H2;2*1-10,13,15,17-18H,11-12,14,16H2;1-12,16,18H,13-15,17H2.
What are the key properties of 1,24-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),29,31,33-pentadecaene;1,24-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),29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene?
1,24-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),29,31,33-pentadecaene;1,24-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),29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene has a molecular weight of 2679.32 g/mol, XLogP of 45.01, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,24-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),29,31,33-pentadecaene;1,24-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),29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,25-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene;1,26-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),24,26,29,31,33-pentadecaene is sourced from PubChem (CID 167593307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).