2-[[19,25,31,36-tetratert-butyl-41-(pyridin-2-ylmethoxy)-3,6,9,12,15-pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaen-40-yl]oxymethyl]pyridine

C64H80N2O7 — CID 10724666

About 2-[[19,25,31,36-tetratert-butyl-41-(pyridin-2-ylmethoxy)-3,6,9,12,15-pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaen-40-yl]oxymethyl]pyridine

2-[[19,25,31,36-tetratert-butyl-41-(pyridin-2-ylmethoxy)-3,6,9,12,15-pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaen-40-yl]oxymethyl]pyridine (PubChem CID 10724666) has the molecular formula C64H80N2O7 and a molecular weight of 989.35 g/mol. Its IUPAC name is 2-[[19,25,31,36-tetratert-butyl-41-(pyridin-2-ylmethoxy)-3,6,9,12,15-pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaen-40-yl]oxymethyl]pyridine.

Molecular Properties

• Compound Name: 2-[[19,25,31,36-tetratert-butyl-41-(pyridin-2-ylmethoxy)-3,6,9,12,15-pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaen-40-yl]oxymethyl]pyridine
• PubChem CID: 10724666
• Molecular Formula: C64H80N2O7
• Molecular Weight: 989.35 g/mol
• Exact Mass: 988.60
• IUPAC Name: 2-[[19,25,31,36-tetratert-butyl-41-(pyridin-2-ylmethoxy)-3,6,9,12,15-pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaen-40-yl]oxymethyl]pyridine
• SMILES: CC(C)(C)c1cc2c3c(c1)Cc1cc(C(C)(C)C)cc(c1OCc1ccccn1)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOCCO3)Cc1cc(C(C)(C)C)cc(c1OCc1ccccn1)C2
• InChI: InChI=1S/C64H80N2O7/c1-61(2,3)51-33-43-29-47-37-53(63(7,8)9)39-49(59(47)72-41-55-17-13-15-19-65-55)31-45-35-52(62(4,5)6)36-46-32-50-40-54(64(10,11)12)38-48(60(50)73-42-56-18-14-16-20-66-56)30-44(34-51)57(43)70-27-25-68-23-21-67-22-24-69-26-28-71-58(45)46/h13-20,33-40H,21-32,41-42H2,1-12H3
• InChIKey: NKHAODPJRYTEEN-UHFFFAOYSA-N
• XLogP: 13.32
• TPSA: 90.39 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	989.35
LogP ≤ 5	13.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[[19,25,31,36-tetratert-butyl-41-(pyridin-2-ylmethoxy)-3,6,9,12,15-pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaen-40-yl]oxymethyl]pyridine?

The IUPAC name of 2-[[19,25,31,36-tetratert-butyl-41-(pyridin-2-ylmethoxy)-3,6,9,12,15-pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaen-40-yl]oxymethyl]pyridine (CID 10724666) is 2-[[19,25,31,36-tetratert-butyl-41-(pyridin-2-ylmethoxy)-3,6,9,12,15-pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaen-40-yl]oxymethyl]pyridine.

What is the SMILES notation for 2-[[19,25,31,36-tetratert-butyl-41-(pyridin-2-ylmethoxy)-3,6,9,12,15-pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaen-40-yl]oxymethyl]pyridine?

The canonical SMILES for 2-[[19,25,31,36-tetratert-butyl-41-(pyridin-2-ylmethoxy)-3,6,9,12,15-pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaen-40-yl]oxymethyl]pyridine is CC(C)(C)c1cc2c3c(c1)Cc1cc(C(C)(C)C)cc(c1OCc1ccccn1)Cc1cc(C(C)(C)C)cc(c1OCCOCCOCCOCCO3)Cc1cc(C(C)(C)C)cc(c1OCc1ccccn1)C2.

What is the InChIKey of 2-[[19,25,31,36-tetratert-butyl-41-(pyridin-2-ylmethoxy)-3,6,9,12,15-pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaen-40-yl]oxymethyl]pyridine?

The InChIKey is NKHAODPJRYTEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H80N2O7/c1-61(2,3)51-33-43-29-47-37-53(63(7,8)9)39-49(59(47)72-41-55-17-13-15-19-65-55)31-45-35-52(62(4,5)6)36-46-32-50-40-54(64(10,11)12)38-48(60(50)73-42-56-18-14-16-20-66-56)30-44(34-51)57(43)70-27-25-68-23-21-67-22-24-69-26-28-71-58(45)46/h13-20,33-40H,21-32,41-42H2,1-12H3.

What are the key properties of 2-[[19,25,31,36-tetratert-butyl-41-(pyridin-2-ylmethoxy)-3,6,9,12,15-pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaen-40-yl]oxymethyl]pyridine?

2-[[19,25,31,36-tetratert-butyl-41-(pyridin-2-ylmethoxy)-3,6,9,12,15-pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaen-40-yl]oxymethyl]pyridine has a molecular weight of 989.35 g/mol, XLogP of 13.32, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[19,25,31,36-tetratert-butyl-41-(pyridin-2-ylmethoxy)-3,6,9,12,15-pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaen-40-yl]oxymethyl]pyridine is sourced from PubChem (CID 10724666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).