61,65,69,73-tetraphenyl-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

C84H48N8O8 — CID 134982519

About 61,65,69,73-tetraphenyl-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

61,65,69,73-tetraphenyl-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 134982519) has the molecular formula C84H48N8O8 and a molecular weight of 1297.36 g/mol. Its IUPAC name is 61,65,69,73-tetraphenyl-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: 61,65,69,73-tetraphenyl-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: 134982519
• Molecular Formula: C84H48N8O8
• Molecular Weight: 1297.36 g/mol
• Exact Mass: 1296.36
• IUPAC Name: 61,65,69,73-tetraphenyl-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: c1ccc(C2c3cc4c5cc3Oc3nc6ccccc6nc3Oc3cc6c(cc32)C(c2ccccc2)c2cc3c(cc2Oc2nc7ccccc7nc2O6)Oc2nc6ccccc6nc2Oc2cc(c(cc2C3c2ccccc2)C4c2ccccc2)Oc2nc3ccccc3nc2O5)cc1
• InChI: InChI=1S/C84H48N8O8/c1-5-21-45(22-6-1)73-49-37-51-67-41-65(49)93-77-78(86-58-30-14-13-29-57(58)85-77)94-66-42-68-52(38-50(66)73)75(47-25-9-3-10-26-47)54-40-56-72(44-70(54)98-82-80(96-68)88-60-32-16-18-34-62(60)90-82)100-84-83(91-63-35-19-20-36-64(63)92-84)99-71-43-69(97-81-79(95-67)87-59-31-15-17-33-61(59)89-81)53(74(51)46-23-7-2-8-24-46)39-55(71)76(56)48-27-11-4-12-28-48/h1-44,73-76H
• InChIKey: GSDQOXWHFANBGQ-UHFFFAOYSA-N
• XLogP: 20.09
• TPSA: 176.96 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 4
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1297.36
LogP ≤ 5	20.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 61,65,69,73-tetraphenyl-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 61,65,69,73-tetraphenyl-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 134982519) is 61,65,69,73-tetraphenyl-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 61,65,69,73-tetraphenyl-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 61,65,69,73-tetraphenyl-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 c1ccc(C2c3cc4c5cc3Oc3nc6ccccc6nc3Oc3cc6c(cc32)C(c2ccccc2)c2cc3c(cc2Oc2nc7ccccc7nc2O6)Oc2nc6ccccc6nc2Oc2cc(c(cc2C3c2ccccc2)C4c2ccccc2)Oc2nc3ccccc3nc2O5)cc1.

What is the InChIKey of 61,65,69,73-tetraphenyl-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 GSDQOXWHFANBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H48N8O8/c1-5-21-45(22-6-1)73-49-37-51-67-41-65(49)93-77-78(86-58-30-14-13-29-57(58)85-77)94-66-42-68-52(38-50(66)73)75(47-25-9-3-10-26-47)54-40-56-72(44-70(54)98-82-80(96-68)88-60-32-16-18-34-62(60)90-82)100-84-83(91-63-35-19-20-36-64(63)92-84)99-71-43-69(97-81-79(95-67)87-59-31-15-17-33-61(59)89-81)53(74(51)46-23-7-2-8-24-46)39-55(71)76(56)48-27-11-4-12-28-48/h1-44,73-76H.

What are the key properties of 61,65,69,73-tetraphenyl-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?

61,65,69,73-tetraphenyl-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 1297.36 g/mol, XLogP of 20.09, 4 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 61,65,69,73-tetraphenyl-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 134982519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).