15,30,45,61,65,69,73,75-octamethyl-2,13,17,28,32,43,47,58-octaoxa-4,11,19,26,34,41,49,56-octazaheptadecacyclo[57.15.1.160,74.03,12.05,10.014,72.016,70.018,27.020,25.029,68.031,66.033,42.035,40.044,64.046,62.048,57.050,55]hexaheptaconta-1(75),3,5,7,9,11,14,16(70),18,20,22,24,26,29,31(66),33,35,37,39,41,44(64),45,48,50,52,54,56,59,62,67,71,74(76)-dotriacontaene

C68H48N8O8 — CID 122417410

About 15,30,45,61,65,69,73,75-octamethyl-2,13,17,28,32,43,47,58-octaoxa-4,11,19,26,34,41,49,56-octazaheptadecacyclo[57.15.1.160,74.03,12.05,10.014,72.016,70.018,27.020,25.029,68.031,66.033,42.035,40.044,64.046,62.048,57.050,55]hexaheptaconta-1(75),3,5,7,9,11,14,16(70),18,20,22,24,26,29,31(66),33,35,37,39,41,44(64),45,48,50,52,54,56,59,62,67,71,74(76)-dotriacontaene

15,30,45,61,65,69,73,75-octamethyl-2,13,17,28,32,43,47,58-octaoxa-4,11,19,26,34,41,49,56-octazaheptadecacyclo[57.15.1.160,74.03,12.05,10.014,72.016,70.018,27.020,25.029,68.031,66.033,42.035,40.044,64.046,62.048,57.050,55]hexaheptaconta-1(75),3,5,7,9,11,14,16(70),18,20,22,24,26,29,31(66),33,35,37,39,41,44(64),45,48,50,52,54,56,59,62,67,71,74(76)-dotriacontaene (PubChem CID 122417410) has the molecular formula C68H48N8O8 and a molecular weight of 1105.18 g/mol. Its IUPAC name is 15,30,45,61,65,69,73,75-octamethyl-2,13,17,28,32,43,47,58-octaoxa-4,11,19,26,34,41,49,56-octazaheptadecacyclo[57.15.1.160,74.03,12.05,10.014,72.016,70.018,27.020,25.029,68.031,66.033,42.035,40.044,64.046,62.048,57.050,55]hexaheptaconta-1(75),3,5,7,9,11,14,16(70),18,20,22,24,26,29,31(66),33,35,37,39,41,44(64),45,48,50,52,54,56,59,62,67,71,74(76)-dotriacontaene.

Molecular Properties

• Compound Name: 15,30,45,61,65,69,73,75-octamethyl-2,13,17,28,32,43,47,58-octaoxa-4,11,19,26,34,41,49,56-octazaheptadecacyclo[57.15.1.160,74.03,12.05,10.014,72.016,70.018,27.020,25.029,68.031,66.033,42.035,40.044,64.046,62.048,57.050,55]hexaheptaconta-1(75),3,5,7,9,11,14,16(70),18,20,22,24,26,29,31(66),33,35,37,39,41,44(64),45,48,50,52,54,56,59,62,67,71,74(76)-dotriacontaene
• PubChem CID: 122417410
• Molecular Formula: C68H48N8O8
• Molecular Weight: 1105.18 g/mol
• Exact Mass: 1104.36
• IUPAC Name: 15,30,45,61,65,69,73,75-octamethyl-2,13,17,28,32,43,47,58-octaoxa-4,11,19,26,34,41,49,56-octazaheptadecacyclo[57.15.1.160,74.03,12.05,10.014,72.016,70.018,27.020,25.029,68.031,66.033,42.035,40.044,64.046,62.048,57.050,55]hexaheptaconta-1(75),3,5,7,9,11,14,16(70),18,20,22,24,26,29,31(66),33,35,37,39,41,44(64),45,48,50,52,54,56,59,62,67,71,74(76)-dotriacontaene
• SMILES: Cc1c2c3cc4c1Oc1nc5ccccc5nc1Oc1c(cc5c(c1C)Oc1nc6ccccc6nc1Oc1c(cc6c(c1C)Oc1nc7ccccc7nc1Oc1c(cc(c(c1C)Oc1nc7ccccc7nc1O2)C3C)C6C)C5C)C4C
• InChI: InChI=1S/C68H48N8O8/c1-29-37-25-39-30(2)41-27-43-32(4)44-28-42-31(3)40-26-38(29)54-34(6)56(40)80-64-66(74-50-22-14-12-20-48(50)72-64)82-58(42)36(8)60(44)84-68-67(75-51-23-15-16-24-52(51)76-68)83-59(43)35(7)57(41)81-65-63(71-47-19-11-13-21-49(47)73-65)79-55(39)33(5)53(37)77-61-62(78-54)70-46-18-10-9-17-45(46)69-61/h9-32H,1-8H3
• InChIKey: KCRSHSZSSYKYFB-UHFFFAOYSA-N
• XLogP: 17.21
• TPSA: 176.96 Ų
• H-Bond Acceptors: 16
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1105.18
LogP ≤ 5	17.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 15,30,45,61,65,69,73,75-octamethyl-2,13,17,28,32,43,47,58-octaoxa-4,11,19,26,34,41,49,56-octazaheptadecacyclo[57.15.1.160,74.03,12.05,10.014,72.016,70.018,27.020,25.029,68.031,66.033,42.035,40.044,64.046,62.048,57.050,55]hexaheptaconta-1(75),3,5,7,9,11,14,16(70),18,20,22,24,26,29,31(66),33,35,37,39,41,44(64),45,48,50,52,54,56,59,62,67,71,74(76)-dotriacontaene?

The IUPAC name of 15,30,45,61,65,69,73,75-octamethyl-2,13,17,28,32,43,47,58-octaoxa-4,11,19,26,34,41,49,56-octazaheptadecacyclo[57.15.1.160,74.03,12.05,10.014,72.016,70.018,27.020,25.029,68.031,66.033,42.035,40.044,64.046,62.048,57.050,55]hexaheptaconta-1(75),3,5,7,9,11,14,16(70),18,20,22,24,26,29,31(66),33,35,37,39,41,44(64),45,48,50,52,54,56,59,62,67,71,74(76)-dotriacontaene (CID 122417410) is 15,30,45,61,65,69,73,75-octamethyl-2,13,17,28,32,43,47,58-octaoxa-4,11,19,26,34,41,49,56-octazaheptadecacyclo[57.15.1.160,74.03,12.05,10.014,72.016,70.018,27.020,25.029,68.031,66.033,42.035,40.044,64.046,62.048,57.050,55]hexaheptaconta-1(75),3,5,7,9,11,14,16(70),18,20,22,24,26,29,31(66),33,35,37,39,41,44(64),45,48,50,52,54,56,59,62,67,71,74(76)-dotriacontaene.

What is the SMILES notation for 15,30,45,61,65,69,73,75-octamethyl-2,13,17,28,32,43,47,58-octaoxa-4,11,19,26,34,41,49,56-octazaheptadecacyclo[57.15.1.160,74.03,12.05,10.014,72.016,70.018,27.020,25.029,68.031,66.033,42.035,40.044,64.046,62.048,57.050,55]hexaheptaconta-1(75),3,5,7,9,11,14,16(70),18,20,22,24,26,29,31(66),33,35,37,39,41,44(64),45,48,50,52,54,56,59,62,67,71,74(76)-dotriacontaene?

The canonical SMILES for 15,30,45,61,65,69,73,75-octamethyl-2,13,17,28,32,43,47,58-octaoxa-4,11,19,26,34,41,49,56-octazaheptadecacyclo[57.15.1.160,74.03,12.05,10.014,72.016,70.018,27.020,25.029,68.031,66.033,42.035,40.044,64.046,62.048,57.050,55]hexaheptaconta-1(75),3,5,7,9,11,14,16(70),18,20,22,24,26,29,31(66),33,35,37,39,41,44(64),45,48,50,52,54,56,59,62,67,71,74(76)-dotriacontaene is Cc1c2c3cc4c1Oc1nc5ccccc5nc1Oc1c(cc5c(c1C)Oc1nc6ccccc6nc1Oc1c(cc6c(c1C)Oc1nc7ccccc7nc1Oc1c(cc(c(c1C)Oc1nc7ccccc7nc1O2)C3C)C6C)C5C)C4C.

What is the InChIKey of 15,30,45,61,65,69,73,75-octamethyl-2,13,17,28,32,43,47,58-octaoxa-4,11,19,26,34,41,49,56-octazaheptadecacyclo[57.15.1.160,74.03,12.05,10.014,72.016,70.018,27.020,25.029,68.031,66.033,42.035,40.044,64.046,62.048,57.050,55]hexaheptaconta-1(75),3,5,7,9,11,14,16(70),18,20,22,24,26,29,31(66),33,35,37,39,41,44(64),45,48,50,52,54,56,59,62,67,71,74(76)-dotriacontaene?

The InChIKey is KCRSHSZSSYKYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48N8O8/c1-29-37-25-39-30(2)41-27-43-32(4)44-28-42-31(3)40-26-38(29)54-34(6)56(40)80-64-66(74-50-22-14-12-20-48(50)72-64)82-58(42)36(8)60(44)84-68-67(75-51-23-15-16-24-52(51)76-68)83-59(43)35(7)57(41)81-65-63(71-47-19-11-13-21-49(47)73-65)79-55(39)33(5)53(37)77-61-62(78-54)70-46-18-10-9-17-45(46)69-61/h9-32H,1-8H3.

What are the key properties of 15,30,45,61,65,69,73,75-octamethyl-2,13,17,28,32,43,47,58-octaoxa-4,11,19,26,34,41,49,56-octazaheptadecacyclo[57.15.1.160,74.03,12.05,10.014,72.016,70.018,27.020,25.029,68.031,66.033,42.035,40.044,64.046,62.048,57.050,55]hexaheptaconta-1(75),3,5,7,9,11,14,16(70),18,20,22,24,26,29,31(66),33,35,37,39,41,44(64),45,48,50,52,54,56,59,62,67,71,74(76)-dotriacontaene?

15,30,45,61,65,69,73,75-octamethyl-2,13,17,28,32,43,47,58-octaoxa-4,11,19,26,34,41,49,56-octazaheptadecacyclo[57.15.1.160,74.03,12.05,10.014,72.016,70.018,27.020,25.029,68.031,66.033,42.035,40.044,64.046,62.048,57.050,55]hexaheptaconta-1(75),3,5,7,9,11,14,16(70),18,20,22,24,26,29,31(66),33,35,37,39,41,44(64),45,48,50,52,54,56,59,62,67,71,74(76)-dotriacontaene has a molecular weight of 1105.18 g/mol, XLogP of 17.21, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 15,30,45,61,65,69,73,75-octamethyl-2,13,17,28,32,43,47,58-octaoxa-4,11,19,26,34,41,49,56-octazaheptadecacyclo[57.15.1.160,74.03,12.05,10.014,72.016,70.018,27.020,25.029,68.031,66.033,42.035,40.044,64.046,62.048,57.050,55]hexaheptaconta-1(75),3,5,7,9,11,14,16(70),18,20,22,24,26,29,31(66),33,35,37,39,41,44(64),45,48,50,52,54,56,59,62,67,71,74(76)-dotriacontaene is sourced from PubChem (CID 122417410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).