5,24,25,34,35,37,43,44,46,55,56-undecachloro-36,45-bis(2,6-dimethoxyphenoxy)-9,20-dimethoxy-4-methyl-7,14,22-trioxa-29,31,40,49,51,52,53,54-octazadodecacyclo[26.23.1.12,6.123,27.132,39.141,48.03,50.08,13.016,21.026,30.033,38.042,47]hexapentaconta-1(51),2(56),3,5,8(13),9,11,16(21),17,19,23(55),24,26,28(52),30,32(54),33(38),34,36,39,41,43,45,47,49-pentacosaene

C64H37Cl11N8O11 — CID 145179801

About 5,24,25,34,35,37,43,44,46,55,56-undecachloro-36,45-bis(2,6-dimethoxyphenoxy)-9,20-dimethoxy-4-methyl-7,14,22-trioxa-29,31,40,49,51,52,53,54-octazadodecacyclo[26.23.1.12,6.123,27.132,39.141,48.03,50.08,13.016,21.026,30.033,38.042,47]hexapentaconta-1(51),2(56),3,5,8(13),9,11,16(21),17,19,23(55),24,26,28(52),30,32(54),33(38),34,36,39,41,43,45,47,49-pentacosaene

5,24,25,34,35,37,43,44,46,55,56-undecachloro-36,45-bis(2,6-dimethoxyphenoxy)-9,20-dimethoxy-4-methyl-7,14,22-trioxa-29,31,40,49,51,52,53,54-octazadodecacyclo[26.23.1.12,6.123,27.132,39.141,48.03,50.08,13.016,21.026,30.033,38.042,47]hexapentaconta-1(51),2(56),3,5,8(13),9,11,16(21),17,19,23(55),24,26,28(52),30,32(54),33(38),34,36,39,41,43,45,47,49-pentacosaene (PubChem CID 145179801) has the molecular formula C64H37Cl11N8O11 and a molecular weight of 1484.03 g/mol. Its IUPAC name is 5,24,25,34,35,37,43,44,46,55,56-undecachloro-36,45-bis(2,6-dimethoxyphenoxy)-9,20-dimethoxy-4-methyl-7,14,22-trioxa-29,31,40,49,51,52,53,54-octazadodecacyclo[26.23.1.12,6.123,27.132,39.141,48.03,50.08,13.016,21.026,30.033,38.042,47]hexapentaconta-1(51),2(56),3,5,8(13),9,11,16(21),17,19,23(55),24,26,28(52),30,32(54),33(38),34,36,39,41,43,45,47,49-pentacosaene.

Molecular Properties

• Compound Name: 5,24,25,34,35,37,43,44,46,55,56-undecachloro-36,45-bis(2,6-dimethoxyphenoxy)-9,20-dimethoxy-4-methyl-7,14,22-trioxa-29,31,40,49,51,52,53,54-octazadodecacyclo[26.23.1.12,6.123,27.132,39.141,48.03,50.08,13.016,21.026,30.033,38.042,47]hexapentaconta-1(51),2(56),3,5,8(13),9,11,16(21),17,19,23(55),24,26,28(52),30,32(54),33(38),34,36,39,41,43,45,47,49-pentacosaene
• PubChem CID: 145179801
• Molecular Formula: C64H37Cl11N8O11
• Molecular Weight: 1484.03 g/mol
• Exact Mass: 1477.92
• IUPAC Name: 5,24,25,34,35,37,43,44,46,55,56-undecachloro-36,45-bis(2,6-dimethoxyphenoxy)-9,20-dimethoxy-4-methyl-7,14,22-trioxa-29,31,40,49,51,52,53,54-octazadodecacyclo[26.23.1.12,6.123,27.132,39.141,48.03,50.08,13.016,21.026,30.033,38.042,47]hexapentaconta-1(51),2(56),3,5,8(13),9,11,16(21),17,19,23(55),24,26,28(52),30,32(54),33(38),34,36,39,41,43,45,47,49-pentacosaene
• SMILES: COc1cccc2c1Oc1c(Cl)c(Cl)c3c4nc5nc(nc6[nH]c(nc7nc(nc([nH]4)c3c1Cl)-c1c(Cl)c(c(Cl)c(C)c1-7)Oc1c(OC)cccc1OC2)c1c(Cl)c(Oc2c(OC)cccc2OC)c(Cl)c(Cl)c61)-c1c(Cl)c(Oc2c(OC)cccc2OC)c(Cl)c(Cl)c1-5
• InChI: InChI=1S/C64H37Cl11N8O11/c1-21-30-31-42(69)53(38(21)65)94-52-28(89-7)18-11-19-29(52)90-20-22-12-8-13-23(84-2)49(22)91-54-43(70)35-32(39(66)46(54)73)59-79-60-34-37(45(72)56(48(75)41(34)68)93-51-26(87-5)16-10-17-27(51)88-6)64(82-60)83-61-33-36(62(80-61)77-57(30)76-58(31)78-63(35)81-59)44(71)55(47(74)40(33)67)92-50-24(85-3)14-9-15-25(50)86-4/h8-19H,20H2,1-7H3,(H2,76,77,78,79,80,81,82,83)
• InChIKey: FSYXAQYIULEPKS-UHFFFAOYSA-N
• XLogP: 21.48
• TPSA: 210.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1484.03
LogP ≤ 5	21.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,24,25,34,35,37,43,44,46,55,56-undecachloro-36,45-bis(2,6-dimethoxyphenoxy)-9,20-dimethoxy-4-methyl-7,14,22-trioxa-29,31,40,49,51,52,53,54-octazadodecacyclo[26.23.1.12,6.123,27.132,39.141,48.03,50.08,13.016,21.026,30.033,38.042,47]hexapentaconta-1(51),2(56),3,5,8(13),9,11,16(21),17,19,23(55),24,26,28(52),30,32(54),33(38),34,36,39,41,43,45,47,49-pentacosaene?

The IUPAC name of 5,24,25,34,35,37,43,44,46,55,56-undecachloro-36,45-bis(2,6-dimethoxyphenoxy)-9,20-dimethoxy-4-methyl-7,14,22-trioxa-29,31,40,49,51,52,53,54-octazadodecacyclo[26.23.1.12,6.123,27.132,39.141,48.03,50.08,13.016,21.026,30.033,38.042,47]hexapentaconta-1(51),2(56),3,5,8(13),9,11,16(21),17,19,23(55),24,26,28(52),30,32(54),33(38),34,36,39,41,43,45,47,49-pentacosaene (CID 145179801) is 5,24,25,34,35,37,43,44,46,55,56-undecachloro-36,45-bis(2,6-dimethoxyphenoxy)-9,20-dimethoxy-4-methyl-7,14,22-trioxa-29,31,40,49,51,52,53,54-octazadodecacyclo[26.23.1.12,6.123,27.132,39.141,48.03,50.08,13.016,21.026,30.033,38.042,47]hexapentaconta-1(51),2(56),3,5,8(13),9,11,16(21),17,19,23(55),24,26,28(52),30,32(54),33(38),34,36,39,41,43,45,47,49-pentacosaene.

What is the SMILES notation for 5,24,25,34,35,37,43,44,46,55,56-undecachloro-36,45-bis(2,6-dimethoxyphenoxy)-9,20-dimethoxy-4-methyl-7,14,22-trioxa-29,31,40,49,51,52,53,54-octazadodecacyclo[26.23.1.12,6.123,27.132,39.141,48.03,50.08,13.016,21.026,30.033,38.042,47]hexapentaconta-1(51),2(56),3,5,8(13),9,11,16(21),17,19,23(55),24,26,28(52),30,32(54),33(38),34,36,39,41,43,45,47,49-pentacosaene?

The canonical SMILES for 5,24,25,34,35,37,43,44,46,55,56-undecachloro-36,45-bis(2,6-dimethoxyphenoxy)-9,20-dimethoxy-4-methyl-7,14,22-trioxa-29,31,40,49,51,52,53,54-octazadodecacyclo[26.23.1.12,6.123,27.132,39.141,48.03,50.08,13.016,21.026,30.033,38.042,47]hexapentaconta-1(51),2(56),3,5,8(13),9,11,16(21),17,19,23(55),24,26,28(52),30,32(54),33(38),34,36,39,41,43,45,47,49-pentacosaene is COc1cccc2c1Oc1c(Cl)c(Cl)c3c4nc5nc(nc6[nH]c(nc7nc(nc([nH]4)c3c1Cl)-c1c(Cl)c(c(Cl)c(C)c1-7)Oc1c(OC)cccc1OC2)c1c(Cl)c(Oc2c(OC)cccc2OC)c(Cl)c(Cl)c61)-c1c(Cl)c(Oc2c(OC)cccc2OC)c(Cl)c(Cl)c1-5.

What is the InChIKey of 5,24,25,34,35,37,43,44,46,55,56-undecachloro-36,45-bis(2,6-dimethoxyphenoxy)-9,20-dimethoxy-4-methyl-7,14,22-trioxa-29,31,40,49,51,52,53,54-octazadodecacyclo[26.23.1.12,6.123,27.132,39.141,48.03,50.08,13.016,21.026,30.033,38.042,47]hexapentaconta-1(51),2(56),3,5,8(13),9,11,16(21),17,19,23(55),24,26,28(52),30,32(54),33(38),34,36,39,41,43,45,47,49-pentacosaene?

The InChIKey is FSYXAQYIULEPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H37Cl11N8O11/c1-21-30-31-42(69)53(38(21)65)94-52-28(89-7)18-11-19-29(52)90-20-22-12-8-13-23(84-2)49(22)91-54-43(70)35-32(39(66)46(54)73)59-79-60-34-37(45(72)56(48(75)41(34)68)93-51-26(87-5)16-10-17-27(51)88-6)64(82-60)83-61-33-36(62(80-61)77-57(30)76-58(31)78-63(35)81-59)44(71)55(47(74)40(33)67)92-50-24(85-3)14-9-15-25(50)86-4/h8-19H,20H2,1-7H3,(H2,76,77,78,79,80,81,82,83).

What are the key properties of 5,24,25,34,35,37,43,44,46,55,56-undecachloro-36,45-bis(2,6-dimethoxyphenoxy)-9,20-dimethoxy-4-methyl-7,14,22-trioxa-29,31,40,49,51,52,53,54-octazadodecacyclo[26.23.1.12,6.123,27.132,39.141,48.03,50.08,13.016,21.026,30.033,38.042,47]hexapentaconta-1(51),2(56),3,5,8(13),9,11,16(21),17,19,23(55),24,26,28(52),30,32(54),33(38),34,36,39,41,43,45,47,49-pentacosaene?

5,24,25,34,35,37,43,44,46,55,56-undecachloro-36,45-bis(2,6-dimethoxyphenoxy)-9,20-dimethoxy-4-methyl-7,14,22-trioxa-29,31,40,49,51,52,53,54-octazadodecacyclo[26.23.1.12,6.123,27.132,39.141,48.03,50.08,13.016,21.026,30.033,38.042,47]hexapentaconta-1(51),2(56),3,5,8(13),9,11,16(21),17,19,23(55),24,26,28(52),30,32(54),33(38),34,36,39,41,43,45,47,49-pentacosaene has a molecular weight of 1484.03 g/mol, XLogP of 21.48, 10 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5,24,25,34,35,37,43,44,46,55,56-undecachloro-36,45-bis(2,6-dimethoxyphenoxy)-9,20-dimethoxy-4-methyl-7,14,22-trioxa-29,31,40,49,51,52,53,54-octazadodecacyclo[26.23.1.12,6.123,27.132,39.141,48.03,50.08,13.016,21.026,30.033,38.042,47]hexapentaconta-1(51),2(56),3,5,8(13),9,11,16(21),17,19,23(55),24,26,28(52),30,32(54),33(38),34,36,39,41,43,45,47,49-pentacosaene is sourced from PubChem (CID 145179801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).