5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrakis(pyridin-2-ylmethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaen-31-ol

C79H90N4O5 — CID 10748840

About 5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrakis(pyridin-2-ylmethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaen-31-ol

5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrakis(pyridin-2-ylmethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaen-31-ol (PubChem CID 10748840) has the molecular formula C79H90N4O5 and a molecular weight of 1175.61 g/mol. Its IUPAC name is 5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrakis(pyridin-2-ylmethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaen-31-ol.

Molecular Properties

• Compound Name: 5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrakis(pyridin-2-ylmethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaen-31-ol
• PubChem CID: 10748840
• Molecular Formula: C79H90N4O5
• Molecular Weight: 1175.61 g/mol
• Exact Mass: 1174.69
• IUPAC Name: 5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrakis(pyridin-2-ylmethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaen-31-ol
• SMILES: CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1OCc1ccccn1)Cc1cc(C(C)(C)C)cc(c1OCc1ccccn1)Cc1cc(C(C)(C)C)cc(c1OCc1ccccn1)Cc1cc(C(C)(C)C)cc(c1OCc1ccccn1)C2
• InChI: InChI=1S/C79H90N4O5/c1-75(2,3)61-37-51-32-53-39-62(76(4,5)6)41-55(71(53)85-47-66-24-16-20-28-80-66)34-57-43-64(78(10,11)12)45-59(73(57)87-49-68-26-18-22-30-82-68)36-60-46-65(79(13,14)15)44-58(74(60)88-50-69-27-19-23-31-83-69)35-56-42-63(77(7,8)9)40-54(33-52(38-61)70(51)84)72(56)86-48-67-25-17-21-29-81-67/h16-31,37-46,84H,32-36,47-50H2,1-15H3
• InChIKey: GRDKRVNUBVZCRI-UHFFFAOYSA-N
• XLogP: 18.04
• TPSA: 108.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1175.61
LogP ≤ 5	18.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrakis(pyridin-2-ylmethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaen-31-ol?

The IUPAC name of 5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrakis(pyridin-2-ylmethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaen-31-ol (CID 10748840) is 5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrakis(pyridin-2-ylmethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaen-31-ol.

What is the SMILES notation for 5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrakis(pyridin-2-ylmethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaen-31-ol?

The canonical SMILES for 5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrakis(pyridin-2-ylmethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaen-31-ol is CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1OCc1ccccn1)Cc1cc(C(C)(C)C)cc(c1OCc1ccccn1)Cc1cc(C(C)(C)C)cc(c1OCc1ccccn1)Cc1cc(C(C)(C)C)cc(c1OCc1ccccn1)C2.

What is the InChIKey of 5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrakis(pyridin-2-ylmethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaen-31-ol?

The InChIKey is GRDKRVNUBVZCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H90N4O5/c1-75(2,3)61-37-51-32-53-39-62(76(4,5)6)41-55(71(53)85-47-66-24-16-20-28-80-66)34-57-43-64(78(10,11)12)45-59(73(57)87-49-68-26-18-22-30-82-68)36-60-46-65(79(13,14)15)44-58(74(60)88-50-69-27-19-23-31-83-69)35-56-42-63(77(7,8)9)40-54(33-52(38-61)70(51)84)72(56)86-48-67-25-17-21-29-81-67/h16-31,37-46,84H,32-36,47-50H2,1-15H3.

What are the key properties of 5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrakis(pyridin-2-ylmethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaen-31-ol?

5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrakis(pyridin-2-ylmethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaen-31-ol has a molecular weight of 1175.61 g/mol, XLogP of 18.04, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrakis(pyridin-2-ylmethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaen-31-ol is sourced from PubChem (CID 10748840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).