5,11,17,23-tetratert-butyl-26,27-bis(pyridin-2-ylmethoxy)-28-(quinolin-2-ylmethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaen-25-ol

C66H73N3O4 — CID 10033897

About 5,11,17,23-tetratert-butyl-26,27-bis(pyridin-2-ylmethoxy)-28-(quinolin-2-ylmethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaen-25-ol

5,11,17,23-tetratert-butyl-26,27-bis(pyridin-2-ylmethoxy)-28-(quinolin-2-ylmethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaen-25-ol (PubChem CID 10033897) has the molecular formula C66H73N3O4 and a molecular weight of 972.33 g/mol. Its IUPAC name is 5,11,17,23-tetratert-butyl-26,27-bis(pyridin-2-ylmethoxy)-28-(quinolin-2-ylmethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaen-25-ol.

Molecular Properties

• Compound Name: 5,11,17,23-tetratert-butyl-26,27-bis(pyridin-2-ylmethoxy)-28-(quinolin-2-ylmethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaen-25-ol
• PubChem CID: 10033897
• Molecular Formula: C66H73N3O4
• Molecular Weight: 972.33 g/mol
• Exact Mass: 971.56
• IUPAC Name: 5,11,17,23-tetratert-butyl-26,27-bis(pyridin-2-ylmethoxy)-28-(quinolin-2-ylmethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaen-25-ol
• SMILES: CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1OCc1ccc3ccccc3n1)Cc1cc(C(C)(C)C)cc(c1OCc1ccccn1)Cc1cc(C(C)(C)C)cc(c1OCc1ccccn1)C2
• InChI: InChI=1S/C66H73N3O4/c1-63(2,3)51-31-43-27-45-33-52(64(4,5)6)35-47(60(45)71-39-55-20-15-17-25-67-55)29-49-37-54(66(10,11)12)38-50(62(49)72-40-56-21-16-18-26-68-56)30-48-36-53(65(7,8)9)34-46(28-44(32-51)59(43)70)61(48)73-41-57-24-23-42-19-13-14-22-58(42)69-57/h13-26,31-38,70H,27-30,39-41H2,1-12H3
• InChIKey: NJCWKTSJCVPRFU-UHFFFAOYSA-N
• XLogP: 15.33
• TPSA: 86.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	972.33
LogP ≤ 5	15.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5,11,17,23-tetratert-butyl-26,27-bis(pyridin-2-ylmethoxy)-28-(quinolin-2-ylmethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaen-25-ol?

The IUPAC name of 5,11,17,23-tetratert-butyl-26,27-bis(pyridin-2-ylmethoxy)-28-(quinolin-2-ylmethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaen-25-ol (CID 10033897) is 5,11,17,23-tetratert-butyl-26,27-bis(pyridin-2-ylmethoxy)-28-(quinolin-2-ylmethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaen-25-ol.

What is the SMILES notation for 5,11,17,23-tetratert-butyl-26,27-bis(pyridin-2-ylmethoxy)-28-(quinolin-2-ylmethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaen-25-ol?

The canonical SMILES for 5,11,17,23-tetratert-butyl-26,27-bis(pyridin-2-ylmethoxy)-28-(quinolin-2-ylmethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaen-25-ol is CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1OCc1ccc3ccccc3n1)Cc1cc(C(C)(C)C)cc(c1OCc1ccccn1)Cc1cc(C(C)(C)C)cc(c1OCc1ccccn1)C2.

What is the InChIKey of 5,11,17,23-tetratert-butyl-26,27-bis(pyridin-2-ylmethoxy)-28-(quinolin-2-ylmethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaen-25-ol?

The InChIKey is NJCWKTSJCVPRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H73N3O4/c1-63(2,3)51-31-43-27-45-33-52(64(4,5)6)35-47(60(45)71-39-55-20-15-17-25-67-55)29-49-37-54(66(10,11)12)38-50(62(49)72-40-56-21-16-18-26-68-56)30-48-36-53(65(7,8)9)34-46(28-44(32-51)59(43)70)61(48)73-41-57-24-23-42-19-13-14-22-58(42)69-57/h13-26,31-38,70H,27-30,39-41H2,1-12H3.

What are the key properties of 5,11,17,23-tetratert-butyl-26,27-bis(pyridin-2-ylmethoxy)-28-(quinolin-2-ylmethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaen-25-ol?

5,11,17,23-tetratert-butyl-26,27-bis(pyridin-2-ylmethoxy)-28-(quinolin-2-ylmethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaen-25-ol has a molecular weight of 972.33 g/mol, XLogP of 15.33, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5,11,17,23-tetratert-butyl-26,27-bis(pyridin-2-ylmethoxy)-28-(quinolin-2-ylmethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaen-25-ol is sourced from PubChem (CID 10033897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).