3-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;9-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;9-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;16-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;16-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;22-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene;22-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene

C160H88N24O8 — CID 163658932

IUPAC3-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;9-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;9-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;16-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;16-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;22-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene;22-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene
SMILESc1ccc2c(c1)oc1c2ccc2c3cccnc3c3nccn3c21.c1ccc2c(c1)oc1c2ccc2c3ccncc3c3nccn3c21.c1ccc2c(c1)oc1cc3c(cc12)c1cccnc1c1nccn31.c1ccc2c(c1)oc1cc3c(cc12)c1ccncc1c1nccn31.c1ccc2c(c1)oc1cc3c4cccnc4c4nccn4c3cc12.c1ccc2c(c1)oc1cc3c4ccncc4c4nccn4c3cc12.c1ccc2c(c1)oc1ccc3c4cccnc4c4nccn4c3c12.c1ccc2c(c1)oc1ccc3c4ccncc4c4nccn4c3c12
InChIInChI=1S/8C20H11N3O/c1-2-6-15-14(4-1)17-16(24-15)8-7-13-12-5-3-9-21-18(12)20-22-10-11-23(20)19(13)17;1-2-6-16-12(4-1)15-8-7-14-13-5-3-9-21-17(13)20-22-10-11-23(20)18(14)19(15)24-16;1-2-6-17-12(4-1)15-10-16-14(11-18(15)24-17)13-5-3-7-21-19(13)20-22-8-9-23(16)20;1-2-6-17-12(4-1)15-10-14-13-5-3-7-21-19(13)20-22-8-9-23(20)16(14)11-18(15)24-17;1-2-4-18-13(3-1)15-9-17-14(10-19(15)24-18)12-5-6-21-11-16(12)20-22-7-8-23(17)20;1-2-4-18-13(3-1)15-9-14-12-5-6-21-11-16(12)20-22-7-8-23(20)17(14)10-19(15)24-18;1-2-4-16-14(3-1)18-17(24-16)6-5-13-12-7-8-21-11-15(12)20-22-9-10-23(20)19(13)18;1-2-4-17-13(3-1)15-6-5-14-12-7-8-21-11-16(12)20-22-9-10-23(20)18(14)19(15)24-17/h8*1-11H
InChIKeyISRSNCQAKUHDKG-UHFFFAOYSA-N
MW2474.62 g/mol
LogP39.48
Rot. Bonds

About 3-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;9-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;9-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;16-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;16-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;22-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene;22-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene

3-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;9-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;9-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;16-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;16-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;22-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene;22-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene (PubChem CID 163658932) has the molecular formula C160H88N24O8 and a molecular weight of 2474.62 g/mol. Its IUPAC name is 3-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;9-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;9-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;16-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;16-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;22-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene;22-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene.

Molecular Properties

Compound Name3-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;9-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;9-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;16-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;16-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;22-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene;22-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene
PubChem CID163658932
Molecular FormulaC160H88N24O8
Molecular Weight2474.62 g/mol
Exact Mass2472.72
IUPAC Name3-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;9-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;9-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;16-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;16-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;22-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene;22-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene
SMILESc1ccc2c(c1)oc1c2ccc2c3cccnc3c3nccn3c21.c1ccc2c(c1)oc1c2ccc2c3ccncc3c3nccn3c21.c1ccc2c(c1)oc1cc3c(cc12)c1cccnc1c1nccn31.c1ccc2c(c1)oc1cc3c(cc12)c1ccncc1c1nccn31.c1ccc2c(c1)oc1cc3c4cccnc4c4nccn4c3cc12.c1ccc2c(c1)oc1cc3c4ccncc4c4nccn4c3cc12.c1ccc2c(c1)oc1ccc3c4cccnc4c4nccn4c3c12.c1ccc2c(c1)oc1ccc3c4ccncc4c4nccn4c3c12
InChIInChI=1S/8C20H11N3O/c1-2-6-15-14(4-1)17-16(24-15)8-7-13-12-5-3-9-21-18(12)20-22-10-11-23(20)19(13)17;1-2-6-16-12(4-1)15-8-7-14-13-5-3-9-21-17(13)20-22-10-11-23(20)18(14)19(15)24-16;1-2-6-17-12(4-1)15-10-16-14(11-18(15)24-17)13-5-3-7-21-19(13)20-22-8-9-23(16)20;1-2-6-17-12(4-1)15-10-14-13-5-3-7-21-19(13)20-22-8-9-23(20)16(14)11-18(15)24-17;1-2-4-18-13(3-1)15-9-17-14(10-19(15)24-18)12-5-6-21-11-16(12)20-22-7-8-23(17)20;1-2-4-18-13(3-1)15-9-14-12-5-6-21-11-16(12)20-22-7-8-23(20)17(14)10-19(15)24-18;1-2-4-16-14(3-1)18-17(24-16)6-5-13-12-7-8-21-11-15(12)20-22-9-10-23(20)19(13)18;1-2-4-17-13(3-1)15-6-5-14-12-7-8-21-11-16(12)20-22-9-10-23(20)18(14)19(15)24-17/h8*1-11H
InChIKeyISRSNCQAKUHDKG-UHFFFAOYSA-N
XLogP39.48
TPSA346.64 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002474.62
LogP ≤ 539.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;9-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;9-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;16-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;16-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;22-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene;22-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;9-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;9-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;16-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;16-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;22-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene;22-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene?
The IUPAC name of 3-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;9-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;9-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;16-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;16-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;22-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene;22-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene (CID 163658932) is 3-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;9-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;9-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;16-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;16-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;22-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene;22-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene.
What is the SMILES notation for 3-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;9-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;9-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;16-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;16-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;22-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene;22-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene?
The canonical SMILES for 3-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;9-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;9-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;16-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;16-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;22-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene;22-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene is c1ccc2c(c1)oc1c2ccc2c3cccnc3c3nccn3c21.c1ccc2c(c1)oc1c2ccc2c3ccncc3c3nccn3c21.c1ccc2c(c1)oc1cc3c(cc12)c1cccnc1c1nccn31.c1ccc2c(c1)oc1cc3c(cc12)c1ccncc1c1nccn31.c1ccc2c(c1)oc1cc3c4cccnc4c4nccn4c3cc12.c1ccc2c(c1)oc1cc3c4ccncc4c4nccn4c3cc12.c1ccc2c(c1)oc1ccc3c4cccnc4c4nccn4c3c12.c1ccc2c(c1)oc1ccc3c4ccncc4c4nccn4c3c12.
What is the InChIKey of 3-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;9-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;9-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;16-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;16-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;22-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene;22-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene?
The InChIKey is ISRSNCQAKUHDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/8C20H11N3O/c1-2-6-15-14(4-1)17-16(24-15)8-7-13-12-5-3-9-21-18(12)20-22-10-11-23(20)19(13)17;1-2-6-16-12(4-1)15-8-7-14-13-5-3-9-21-17(13)20-22-10-11-23(20)18(14)19(15)24-16;1-2-6-17-12(4-1)15-10-16-14(11-18(15)24-17)13-5-3-7-21-19(13)20-22-8-9-23(16)20;1-2-6-17-12(4-1)15-10-14-13-5-3-7-21-19(13)20-22-8-9-23(20)16(14)11-18(15)24-17;1-2-4-18-13(3-1)15-9-17-14(10-19(15)24-18)12-5-6-21-11-16(12)20-22-7-8-23(17)20;1-2-4-18-13(3-1)15-9-14-12-5-6-21-11-16(12)20-22-7-8-23(20)17(14)10-19(15)24-18;1-2-4-16-14(3-1)18-17(24-16)6-5-13-12-7-8-21-11-15(12)20-22-9-10-23(20)19(13)18;1-2-4-17-13(3-1)15-6-5-14-12-7-8-21-11-16(12)20-22-9-10-23(20)18(14)19(15)24-17/h8*1-11H.
What are the key properties of 3-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;9-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;9-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;16-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;16-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;22-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene;22-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene?
3-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;9-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;9-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;16-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;16-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;22-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene;22-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene has a molecular weight of 2474.62 g/mol, XLogP of 39.48, 0 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14(19),15,17,20,22-undecaene;9-oxa-17,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;9-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;16-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;16-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene;22-oxa-2,5,8-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene;22-oxa-2,5,9-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene is sourced from PubChem (CID 163658932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).