20-oxa-11-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-12-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene

C83H44N10O3+6 — CID 160527400

About 20-oxa-11-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-12-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene

20-oxa-11-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-12-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene (PubChem CID 160527400) has the molecular formula C83H44N10O3+6 and a molecular weight of 1229.33 g/mol. Its IUPAC name is 20-oxa-11-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-12-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene.

Molecular Properties

• Compound Name: 20-oxa-11-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-12-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene
• PubChem CID: 160527400
• Molecular Formula: C83H44N10O3+6
• Molecular Weight: 1229.33 g/mol
• Exact Mass: 1228.36
• IUPAC Name: 20-oxa-11-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-12-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene
• SMILES: c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5cccnc5c5ccc[n+]1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5ccncc5c5ccc[n+]1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5nccnc5c5ccc[n+]1c5c34)O2
• InChI: InChI=1S/2C28H15N3O.C27H14N4O/c1-2-14-30-20(9-1)18-6-3-10-21-24(18)28(30)25-22(32-21)12-11-16-17-7-4-13-29-26(17)19-8-5-15-31(28)27(19)23(16)25;1-2-13-30-21(7-1)19-5-3-8-22-25(19)28(30)26-23(32-22)10-9-17-16-11-12-29-15-20(16)18-6-4-14-31(28)27(18)24(17)26;1-2-13-30-18(7-1)15-5-3-8-19-22(15)27(30)23-20(32-19)10-9-16-21(23)26-17(6-4-14-31(26)27)25-24(16)28-11-12-29-25/h2*1-15H;1-14H/q3*+2
• InChIKey: ZKLUQLNVJNMFDI-UHFFFAOYSA-N
• XLogP: 13.84
• TPSA: 102.53 Ų
• H-Bond Acceptors: 7
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1229.33
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 20-oxa-11-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-12-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene?

The IUPAC name of 20-oxa-11-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-12-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene (CID 160527400) is 20-oxa-11-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-12-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene.

What is the SMILES notation for 20-oxa-11-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-12-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene?

The canonical SMILES for 20-oxa-11-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-12-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene is c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5cccnc5c5ccc[n+]1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5ccncc5c5ccc[n+]1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5nccnc5c5ccc[n+]1c5c34)O2.

What is the InChIKey of 20-oxa-11-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-12-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene?

The InChIKey is ZKLUQLNVJNMFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H15N3O.C27H14N4O/c1-2-14-30-20(9-1)18-6-3-10-21-24(18)28(30)25-22(32-21)12-11-16-17-7-4-13-29-26(17)19-8-5-15-31(28)27(19)23(16)25;1-2-13-30-21(7-1)19-5-3-8-22-25(19)28(30)26-23(32-22)10-9-17-16-11-12-29-15-20(16)18-6-4-14-31(28)27(18)24(17)26;1-2-13-30-18(7-1)15-5-3-8-19-22(15)27(30)23-20(32-19)10-9-16-21(23)26-17(6-4-14-31(26)27)25-24(16)28-11-12-29-25/h2*1-15H;1-14H/q3*+2.

What are the key properties of 20-oxa-11-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-12-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene?

20-oxa-11-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-12-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene has a molecular weight of 1229.33 g/mol, XLogP of 13.84, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 20-oxa-11-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-12-aza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25(32),26,28,30-pentadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene is sourced from PubChem (CID 160527400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).