6,7,15,16,24,25,32,33,34-nonabromo-8,26-dichloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene

C32H7Br9Cl2N8 — CID 136723121

About 6,7,15,16,24,25,32,33,34-nonabromo-8,26-dichloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene

6,7,15,16,24,25,32,33,34-nonabromo-8,26-dichloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene (PubChem CID 136723121) has the molecular formula C32H7Br9Cl2N8 and a molecular weight of 1293.51 g/mol. Its IUPAC name is 6,7,15,16,24,25,32,33,34-nonabromo-8,26-dichloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene.

Molecular Properties

• Compound Name: 6,7,15,16,24,25,32,33,34-nonabromo-8,26-dichloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene
• PubChem CID: 136723121
• Molecular Formula: C32H7Br9Cl2N8
• Molecular Weight: 1293.51 g/mol
• Exact Mass: 1283.28
• IUPAC Name: 6,7,15,16,24,25,32,33,34-nonabromo-8,26-dichloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene
• SMILES: Clc1c(Br)c(Br)cc2c1-c1nc-2nc2nc(nc3[nH]c(nc4nc([nH]1)-c1c-4cc(Br)c(Br)c1Br)c1cc(Br)c(Br)c(Cl)c31)-c1cc(Br)c(Br)cc1-2
• InChI: InChI=1S/C32H7Br9Cl2N8/c33-11-1-6-7(2-12(11)34)26-44-25(6)45-28-10-5-15(37)21(40)24(43)18(10)32(50-28)51-30-16-8(3-13(35)19(38)22(16)41)27(48-30)46-29-9-4-14(36)20(39)23(42)17(9)31(47-26)49-29/h1-5H,(H2,44,45,46,47,48,49,50,51)
• InChIKey: NXUIJICNURRMRR-UHFFFAOYSA-N
• XLogP: 14.94
• TPSA: 108.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1293.51
LogP ≤ 5	14.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6,7,15,16,24,25,32,33,34-nonabromo-8,26-dichloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene?

The IUPAC name of 6,7,15,16,24,25,32,33,34-nonabromo-8,26-dichloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene (CID 136723121) is 6,7,15,16,24,25,32,33,34-nonabromo-8,26-dichloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene.

What is the SMILES notation for 6,7,15,16,24,25,32,33,34-nonabromo-8,26-dichloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene?

The canonical SMILES for 6,7,15,16,24,25,32,33,34-nonabromo-8,26-dichloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene is Clc1c(Br)c(Br)cc2c1-c1nc-2nc2nc(nc3[nH]c(nc4nc([nH]1)-c1c-4cc(Br)c(Br)c1Br)c1cc(Br)c(Br)c(Cl)c31)-c1cc(Br)c(Br)cc1-2.

What is the InChIKey of 6,7,15,16,24,25,32,33,34-nonabromo-8,26-dichloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene?

The InChIKey is NXUIJICNURRMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H7Br9Cl2N8/c33-11-1-6-7(2-12(11)34)26-44-25(6)45-28-10-5-15(37)21(40)24(43)18(10)32(50-28)51-30-16-8(3-13(35)19(38)22(16)41)27(48-30)46-29-9-4-14(36)20(39)23(42)17(9)31(47-26)49-29/h1-5H,(H2,44,45,46,47,48,49,50,51).

What are the key properties of 6,7,15,16,24,25,32,33,34-nonabromo-8,26-dichloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene?

6,7,15,16,24,25,32,33,34-nonabromo-8,26-dichloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene has a molecular weight of 1293.51 g/mol, XLogP of 14.94, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7,15,16,24,25,32,33,34-nonabromo-8,26-dichloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene is sourced from PubChem (CID 136723121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).