11,23,35,47,59-pentamethyl-5,17,29,41,53-pentakis-phenyl-2,8,14,20,26,32,38,44,50,56-decaoxa-4,6,16,18,28,30,40,42,52,54-decazaundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(61),3(70),4,6,9(69),10,12,15(68),16,18,21(67),22,24,27(66),28,30,33,35,37(65),39,41,43(64),45,47,49(63),51,53,55(62),57,59-triacontaene

C85H60N10O10 — CID 101410345

About 11,23,35,47,59-pentamethyl-5,17,29,41,53-pentakis-phenyl-2,8,14,20,26,32,38,44,50,56-decaoxa-4,6,16,18,28,30,40,42,52,54-decazaundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(61),3(70),4,6,9(69),10,12,15(68),16,18,21(67),22,24,27(66),28,30,33,35,37(65),39,41,43(64),45,47,49(63),51,53,55(62),57,59-triacontaene

11,23,35,47,59-pentamethyl-5,17,29,41,53-pentakis-phenyl-2,8,14,20,26,32,38,44,50,56-decaoxa-4,6,16,18,28,30,40,42,52,54-decazaundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(61),3(70),4,6,9(69),10,12,15(68),16,18,21(67),22,24,27(66),28,30,33,35,37(65),39,41,43(64),45,47,49(63),51,53,55(62),57,59-triacontaene (PubChem CID 101410345) has the molecular formula C85H60N10O10 and a molecular weight of 1381.47 g/mol. Its IUPAC name is 11,23,35,47,59-pentamethyl-5,17,29,41,53-pentakis-phenyl-2,8,14,20,26,32,38,44,50,56-decaoxa-4,6,16,18,28,30,40,42,52,54-decazaundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(61),3(70),4,6,9(69),10,12,15(68),16,18,21(67),22,24,27(66),28,30,33,35,37(65),39,41,43(64),45,47,49(63),51,53,55(62),57,59-triacontaene.

Molecular Properties

• Compound Name: 11,23,35,47,59-pentamethyl-5,17,29,41,53-pentakis-phenyl-2,8,14,20,26,32,38,44,50,56-decaoxa-4,6,16,18,28,30,40,42,52,54-decazaundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(61),3(70),4,6,9(69),10,12,15(68),16,18,21(67),22,24,27(66),28,30,33,35,37(65),39,41,43(64),45,47,49(63),51,53,55(62),57,59-triacontaene
• PubChem CID: 101410345
• Molecular Formula: C85H60N10O10
• Molecular Weight: 1381.47 g/mol
• Exact Mass: 1380.45
• IUPAC Name: 11,23,35,47,59-pentamethyl-5,17,29,41,53-pentakis-phenyl-2,8,14,20,26,32,38,44,50,56-decaoxa-4,6,16,18,28,30,40,42,52,54-decazaundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(61),3(70),4,6,9(69),10,12,15(68),16,18,21(67),22,24,27(66),28,30,33,35,37(65),39,41,43(64),45,47,49(63),51,53,55(62),57,59-triacontaene
• SMILES: Cc1cc2cc(c1)oc1cc(nc(-c3ccccc3)n1)oc1cc(C)cc(c1)oc1cc(nc(-c3ccccc3)n1)oc1cc(C)cc(c1)oc1cc(nc(-c3ccccc3)n1)oc1cc(C)cc(c1)oc1cc(nc(-c3ccccc3)n1)oc1cc(C)cc(c1)oc1cc(nc(-c3ccccc3)n1)o2
• InChI: InChI=1S/C85H60N10O10/c1-51-31-61-41-62(32-51)97-72-47-74(89-82(87-72)57-23-13-7-14-24-57)99-64-34-53(3)36-66(43-64)101-76-49-78(93-84(91-76)59-27-17-9-18-28-59)103-68-38-55(5)40-70(45-68)105-80-50-79(94-85(95-80)60-29-19-10-20-30-60)104-69-39-54(4)37-67(44-69)102-77-48-75(90-83(92-77)58-25-15-8-16-26-58)100-65-35-52(2)33-63(42-65)98-73-46-71(96-61)86-81(88-73)56-21-11-6-12-22-56/h6-50H,1-5H3
• InChIKey: OFPDMIMQNYACMM-UHFFFAOYSA-N
• XLogP: 22.53
• TPSA: 260.30 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 5
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1381.47
LogP ≤ 5	22.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 11,23,35,47,59-pentamethyl-5,17,29,41,53-pentakis-phenyl-2,8,14,20,26,32,38,44,50,56-decaoxa-4,6,16,18,28,30,40,42,52,54-decazaundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(61),3(70),4,6,9(69),10,12,15(68),16,18,21(67),22,24,27(66),28,30,33,35,37(65),39,41,43(64),45,47,49(63),51,53,55(62),57,59-triacontaene?

The IUPAC name of 11,23,35,47,59-pentamethyl-5,17,29,41,53-pentakis-phenyl-2,8,14,20,26,32,38,44,50,56-decaoxa-4,6,16,18,28,30,40,42,52,54-decazaundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(61),3(70),4,6,9(69),10,12,15(68),16,18,21(67),22,24,27(66),28,30,33,35,37(65),39,41,43(64),45,47,49(63),51,53,55(62),57,59-triacontaene (CID 101410345) is 11,23,35,47,59-pentamethyl-5,17,29,41,53-pentakis-phenyl-2,8,14,20,26,32,38,44,50,56-decaoxa-4,6,16,18,28,30,40,42,52,54-decazaundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(61),3(70),4,6,9(69),10,12,15(68),16,18,21(67),22,24,27(66),28,30,33,35,37(65),39,41,43(64),45,47,49(63),51,53,55(62),57,59-triacontaene.

What is the SMILES notation for 11,23,35,47,59-pentamethyl-5,17,29,41,53-pentakis-phenyl-2,8,14,20,26,32,38,44,50,56-decaoxa-4,6,16,18,28,30,40,42,52,54-decazaundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(61),3(70),4,6,9(69),10,12,15(68),16,18,21(67),22,24,27(66),28,30,33,35,37(65),39,41,43(64),45,47,49(63),51,53,55(62),57,59-triacontaene?

The canonical SMILES for 11,23,35,47,59-pentamethyl-5,17,29,41,53-pentakis-phenyl-2,8,14,20,26,32,38,44,50,56-decaoxa-4,6,16,18,28,30,40,42,52,54-decazaundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(61),3(70),4,6,9(69),10,12,15(68),16,18,21(67),22,24,27(66),28,30,33,35,37(65),39,41,43(64),45,47,49(63),51,53,55(62),57,59-triacontaene is Cc1cc2cc(c1)oc1cc(nc(-c3ccccc3)n1)oc1cc(C)cc(c1)oc1cc(nc(-c3ccccc3)n1)oc1cc(C)cc(c1)oc1cc(nc(-c3ccccc3)n1)oc1cc(C)cc(c1)oc1cc(nc(-c3ccccc3)n1)oc1cc(C)cc(c1)oc1cc(nc(-c3ccccc3)n1)o2.

What is the InChIKey of 11,23,35,47,59-pentamethyl-5,17,29,41,53-pentakis-phenyl-2,8,14,20,26,32,38,44,50,56-decaoxa-4,6,16,18,28,30,40,42,52,54-decazaundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(61),3(70),4,6,9(69),10,12,15(68),16,18,21(67),22,24,27(66),28,30,33,35,37(65),39,41,43(64),45,47,49(63),51,53,55(62),57,59-triacontaene?

The InChIKey is OFPDMIMQNYACMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H60N10O10/c1-51-31-61-41-62(32-51)97-72-47-74(89-82(87-72)57-23-13-7-14-24-57)99-64-34-53(3)36-66(43-64)101-76-49-78(93-84(91-76)59-27-17-9-18-28-59)103-68-38-55(5)40-70(45-68)105-80-50-79(94-85(95-80)60-29-19-10-20-30-60)104-69-39-54(4)37-67(44-69)102-77-48-75(90-83(92-77)58-25-15-8-16-26-58)100-65-35-52(2)33-63(42-65)98-73-46-71(96-61)86-81(88-73)56-21-11-6-12-22-56/h6-50H,1-5H3.

What are the key properties of 11,23,35,47,59-pentamethyl-5,17,29,41,53-pentakis-phenyl-2,8,14,20,26,32,38,44,50,56-decaoxa-4,6,16,18,28,30,40,42,52,54-decazaundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(61),3(70),4,6,9(69),10,12,15(68),16,18,21(67),22,24,27(66),28,30,33,35,37(65),39,41,43(64),45,47,49(63),51,53,55(62),57,59-triacontaene?

11,23,35,47,59-pentamethyl-5,17,29,41,53-pentakis-phenyl-2,8,14,20,26,32,38,44,50,56-decaoxa-4,6,16,18,28,30,40,42,52,54-decazaundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(61),3(70),4,6,9(69),10,12,15(68),16,18,21(67),22,24,27(66),28,30,33,35,37(65),39,41,43(64),45,47,49(63),51,53,55(62),57,59-triacontaene has a molecular weight of 1381.47 g/mol, XLogP of 22.53, 5 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 11,23,35,47,59-pentamethyl-5,17,29,41,53-pentakis-phenyl-2,8,14,20,26,32,38,44,50,56-decaoxa-4,6,16,18,28,30,40,42,52,54-decazaundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(61),3(70),4,6,9(69),10,12,15(68),16,18,21(67),22,24,27(66),28,30,33,35,37(65),39,41,43(64),45,47,49(63),51,53,55(62),57,59-triacontaene is sourced from PubChem (CID 101410345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).