ethoxyethane;2-(4-methyl-2-pyridinyl)-4-[[6,13,20-trimethoxy-12,19-bis[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methoxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]pyridine

C64H64N6O7 — CID 139113112

About ethoxyethane;2-(4-methyl-2-pyridinyl)-4-[[6,13,20-trimethoxy-12,19-bis[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methoxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]pyridine

ethoxyethane;2-(4-methyl-2-pyridinyl)-4-[[6,13,20-trimethoxy-12,19-bis[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methoxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]pyridine (PubChem CID 139113112) has the molecular formula C64H64N6O7 and a molecular weight of 1029.25 g/mol. Its IUPAC name is ethoxyethane;2-(4-methyl-2-pyridinyl)-4-[[6,13,20-trimethoxy-12,19-bis[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methoxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]pyridine.

Molecular Properties

• Compound Name: ethoxyethane;2-(4-methyl-2-pyridinyl)-4-[[6,13,20-trimethoxy-12,19-bis[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methoxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]pyridine
• PubChem CID: 139113112
• Molecular Formula: C64H64N6O7
• Molecular Weight: 1029.25 g/mol
• Exact Mass: 1028.48
• IUPAC Name: ethoxyethane;2-(4-methyl-2-pyridinyl)-4-[[6,13,20-trimethoxy-12,19-bis[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methoxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]pyridine
• SMILES: CCOCC.COc1cc2c(cc1OCc1ccnc(-c3cc(C)ccn3)c1)Cc1cc(OC)c(OCc3ccnc(-c4cc(C)ccn4)c3)cc1Cc1cc(OC)c(OCc3ccnc(-c4cc(C)ccn4)c3)cc1C2
• InChI: InChI=1S/C60H54N6O6.C4H10O/c1-37-7-13-61-49(19-37)52-22-40(10-16-64-52)34-70-58-31-46-25-44-29-56(68-5)60(72-36-42-12-18-66-54(24-42)51-21-39(3)9-15-63-51)33-48(44)27-45-30-57(69-6)59(32-47(45)26-43(46)28-55(58)67-4)71-35-41-11-17-65-53(23-41)50-20-38(2)8-14-62-50;1-3-5-4-2/h7-24,28-33H,25-27,34-36H2,1-6H3;3-4H2,1-2H3
• InChIKey: VFTNVHPWFPQMNI-UHFFFAOYSA-N
• XLogP: 12.87
• TPSA: 141.95 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1029.25
LogP ≤ 5	12.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;2-(4-methyl-2-pyridinyl)-4-[[6,13,20-trimethoxy-12,19-bis[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methoxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]pyridine?

The IUPAC name of ethoxyethane;2-(4-methyl-2-pyridinyl)-4-[[6,13,20-trimethoxy-12,19-bis[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methoxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]pyridine (CID 139113112) is ethoxyethane;2-(4-methyl-2-pyridinyl)-4-[[6,13,20-trimethoxy-12,19-bis[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methoxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]pyridine.

What is the SMILES notation for ethoxyethane;2-(4-methyl-2-pyridinyl)-4-[[6,13,20-trimethoxy-12,19-bis[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methoxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]pyridine?

The canonical SMILES for ethoxyethane;2-(4-methyl-2-pyridinyl)-4-[[6,13,20-trimethoxy-12,19-bis[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methoxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]pyridine is CCOCC.COc1cc2c(cc1OCc1ccnc(-c3cc(C)ccn3)c1)Cc1cc(OC)c(OCc3ccnc(-c4cc(C)ccn4)c3)cc1Cc1cc(OC)c(OCc3ccnc(-c4cc(C)ccn4)c3)cc1C2.

What is the InChIKey of ethoxyethane;2-(4-methyl-2-pyridinyl)-4-[[6,13,20-trimethoxy-12,19-bis[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methoxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]pyridine?

The InChIKey is VFTNVHPWFPQMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H54N6O6.C4H10O/c1-37-7-13-61-49(19-37)52-22-40(10-16-64-52)34-70-58-31-46-25-44-29-56(68-5)60(72-36-42-12-18-66-54(24-42)51-21-39(3)9-15-63-51)33-48(44)27-45-30-57(69-6)59(32-47(45)26-43(46)28-55(58)67-4)71-35-41-11-17-65-53(23-41)50-20-38(2)8-14-62-50;1-3-5-4-2/h7-24,28-33H,25-27,34-36H2,1-6H3;3-4H2,1-2H3.

What are the key properties of ethoxyethane;2-(4-methyl-2-pyridinyl)-4-[[6,13,20-trimethoxy-12,19-bis[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methoxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]pyridine?

ethoxyethane;2-(4-methyl-2-pyridinyl)-4-[[6,13,20-trimethoxy-12,19-bis[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methoxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]pyridine has a molecular weight of 1029.25 g/mol, XLogP of 12.87, 17 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for ethoxyethane;2-(4-methyl-2-pyridinyl)-4-[[6,13,20-trimethoxy-12,19-bis[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methoxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]pyridine is sourced from PubChem (CID 139113112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).