5,11,17,23,29,35,41,47-octabromo-49,50,51,52,53,54,55,56-octamethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene

C64H56Br8O8 — CID 12033615

About 5,11,17,23,29,35,41,47-octabromo-49,50,51,52,53,54,55,56-octamethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene

5,11,17,23,29,35,41,47-octabromo-49,50,51,52,53,54,55,56-octamethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene (PubChem CID 12033615) has the molecular formula C64H56Br8O8 and a molecular weight of 1592.38 g/mol. Its IUPAC name is 5,11,17,23,29,35,41,47-octabromo-49,50,51,52,53,54,55,56-octamethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene.

Molecular Properties

• Compound Name: 5,11,17,23,29,35,41,47-octabromo-49,50,51,52,53,54,55,56-octamethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene
• PubChem CID: 12033615
• Molecular Formula: C64H56Br8O8
• Molecular Weight: 1592.38 g/mol
• Exact Mass: 1583.74
• IUPAC Name: 5,11,17,23,29,35,41,47-octabromo-49,50,51,52,53,54,55,56-octamethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene
• SMILES: COc1c2cc(Br)cc1Cc1cc(Br)cc(c1OC)Cc1cc(Br)cc(c1OC)Cc1cc(Br)cc(c1OC)Cc1cc(Br)cc(c1OC)Cc1cc(Br)cc(c1OC)Cc1cc(Br)cc(c1OC)Cc1cc(Br)cc(c1OC)C2
• InChI: InChI=1S/C64H56Br8O8/c1-73-57-33-9-35-19-50(66)21-37(58(35)74-2)11-39-23-52(68)25-41(60(39)76-4)13-43-27-54(70)29-45(62(43)78-6)15-47-31-56(72)32-48(64(47)80-8)16-46-30-55(71)28-44(63(46)79-7)14-42-26-53(69)24-40(61(42)77-5)12-38-22-51(67)20-36(59(38)75-3)10-34(57)18-49(65)17-33/h17-32H,9-16H2,1-8H3
• InChIKey: MZUPXISNEPTOFA-UHFFFAOYSA-N
• XLogP: 18.90
• TPSA: 73.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1592.38
LogP ≤ 5	18.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5,11,17,23,29,35,41,47-octabromo-49,50,51,52,53,54,55,56-octamethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene?

The IUPAC name of 5,11,17,23,29,35,41,47-octabromo-49,50,51,52,53,54,55,56-octamethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene (CID 12033615) is 5,11,17,23,29,35,41,47-octabromo-49,50,51,52,53,54,55,56-octamethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene.

What is the SMILES notation for 5,11,17,23,29,35,41,47-octabromo-49,50,51,52,53,54,55,56-octamethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene?

The canonical SMILES for 5,11,17,23,29,35,41,47-octabromo-49,50,51,52,53,54,55,56-octamethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene is COc1c2cc(Br)cc1Cc1cc(Br)cc(c1OC)Cc1cc(Br)cc(c1OC)Cc1cc(Br)cc(c1OC)Cc1cc(Br)cc(c1OC)Cc1cc(Br)cc(c1OC)Cc1cc(Br)cc(c1OC)Cc1cc(Br)cc(c1OC)C2.

What is the InChIKey of 5,11,17,23,29,35,41,47-octabromo-49,50,51,52,53,54,55,56-octamethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene?

The InChIKey is MZUPXISNEPTOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H56Br8O8/c1-73-57-33-9-35-19-50(66)21-37(58(35)74-2)11-39-23-52(68)25-41(60(39)76-4)13-43-27-54(70)29-45(62(43)78-6)15-47-31-56(72)32-48(64(47)80-8)16-46-30-55(71)28-44(63(46)79-7)14-42-26-53(69)24-40(61(42)77-5)12-38-22-51(67)20-36(59(38)75-3)10-34(57)18-49(65)17-33/h17-32H,9-16H2,1-8H3.

What are the key properties of 5,11,17,23,29,35,41,47-octabromo-49,50,51,52,53,54,55,56-octamethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene?

5,11,17,23,29,35,41,47-octabromo-49,50,51,52,53,54,55,56-octamethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene has a molecular weight of 1592.38 g/mol, XLogP of 18.90, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5,11,17,23,29,35,41,47-octabromo-49,50,51,52,53,54,55,56-octamethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene is sourced from PubChem (CID 12033615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).