8,20,32,44-tetrakis-decyl-2,8,14,20,26,32,38,44,49,50,51,52-dodecazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone

C80H94N12O8 — CID 137286368

About 8,20,32,44-tetrakis-decyl-2,8,14,20,26,32,38,44,49,50,51,52-dodecazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone

8,20,32,44-tetrakis-decyl-2,8,14,20,26,32,38,44,49,50,51,52-dodecazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone (PubChem CID 137286368) has the molecular formula C80H94N12O8 and a molecular weight of 1351.71 g/mol. Its IUPAC name is 8,20,32,44-tetrakis-decyl-2,8,14,20,26,32,38,44,49,50,51,52-dodecazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone.

Molecular Properties

• Compound Name: 8,20,32,44-tetrakis-decyl-2,8,14,20,26,32,38,44,49,50,51,52-dodecazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone
• PubChem CID: 137286368
• Molecular Formula: C80H94N12O8
• Molecular Weight: 1351.71 g/mol
• Exact Mass: 1350.73
• IUPAC Name: 8,20,32,44-tetrakis-decyl-2,8,14,20,26,32,38,44,49,50,51,52-dodecazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone
• SMILES: CCCCCCCCCCN1C(=O)c2cc3c(cc2C1=O)-c1nc-3nc2[nH]c(nc3nc(nc4[nH]c(n1)c1cc5c(cc41)C(=O)N(CCCCCCCCCC)C5=O)-c1cc4c(cc1-3)C(=O)N(CCCCCCCCCC)C4=O)c1cc3c(cc21)C(=O)N(CCCCCCCCCC)C3=O
• InChI: InChI=1S/C80H94N12O8/c1-5-9-13-17-21-25-29-33-37-89-73(93)57-41-49-50(42-58(57)74(89)94)66-81-65(49)85-67-51-43-59-61(77(97)90(75(59)95)38-34-30-26-22-18-14-10-6-2)45-53(51)69(82-67)87-71-55-47-63-64(80(100)92(79(63)99)40-36-32-28-24-20-16-12-8-4)48-56(55)72(84-71)88-70-54-46-62-60(44-52(54)68(83-70)86-66)76(96)91(78(62)98)39-35-31-27-23-19-15-11-7-3/h41-48H,5-40H2,1-4H3,(H2,81,82,83,84,85,86,87,88)
• InChIKey: ZABWWBGSSMNBDK-UHFFFAOYSA-N
• XLogP: 17.82
• TPSA: 258.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 36
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1351.71
LogP ≤ 5	17.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8,20,32,44-tetrakis-decyl-2,8,14,20,26,32,38,44,49,50,51,52-dodecazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone?

The IUPAC name of 8,20,32,44-tetrakis-decyl-2,8,14,20,26,32,38,44,49,50,51,52-dodecazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone (CID 137286368) is 8,20,32,44-tetrakis-decyl-2,8,14,20,26,32,38,44,49,50,51,52-dodecazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone.

What is the SMILES notation for 8,20,32,44-tetrakis-decyl-2,8,14,20,26,32,38,44,49,50,51,52-dodecazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone?

The canonical SMILES for 8,20,32,44-tetrakis-decyl-2,8,14,20,26,32,38,44,49,50,51,52-dodecazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone is CCCCCCCCCCN1C(=O)c2cc3c(cc2C1=O)-c1nc-3nc2[nH]c(nc3nc(nc4[nH]c(n1)c1cc5c(cc41)C(=O)N(CCCCCCCCCC)C5=O)-c1cc4c(cc1-3)C(=O)N(CCCCCCCCCC)C4=O)c1cc3c(cc21)C(=O)N(CCCCCCCCCC)C3=O.

What is the InChIKey of 8,20,32,44-tetrakis-decyl-2,8,14,20,26,32,38,44,49,50,51,52-dodecazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone?

The InChIKey is ZABWWBGSSMNBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H94N12O8/c1-5-9-13-17-21-25-29-33-37-89-73(93)57-41-49-50(42-58(57)74(89)94)66-81-65(49)85-67-51-43-59-61(77(97)90(75(59)95)38-34-30-26-22-18-14-10-6-2)45-53(51)69(82-67)87-71-55-47-63-64(80(100)92(79(63)99)40-36-32-28-24-20-16-12-8-4)48-56(55)72(84-71)88-70-54-46-62-60(44-52(54)68(83-70)86-66)76(96)91(78(62)98)39-35-31-27-23-19-15-11-7-3/h41-48H,5-40H2,1-4H3,(H2,81,82,83,84,85,86,87,88).

What are the key properties of 8,20,32,44-tetrakis-decyl-2,8,14,20,26,32,38,44,49,50,51,52-dodecazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone?

8,20,32,44-tetrakis-decyl-2,8,14,20,26,32,38,44,49,50,51,52-dodecazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone has a molecular weight of 1351.71 g/mol, XLogP of 17.82, 36 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 8,20,32,44-tetrakis-decyl-2,8,14,20,26,32,38,44,49,50,51,52-dodecazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone is sourced from PubChem (CID 137286368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).