ethoxyethane;tetrakis(1-methylpyrrolidin-2-one);bis([6,13,20-trimethoxy-12,19-bis[(4-pyridin-3-ylbenzoyl)oxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] 4-pyridin-3-ylbenzoate)

C148H146N10O24 — CID 139157334

About ethoxyethane;tetrakis(1-methylpyrrolidin-2-one);bis([6,13,20-trimethoxy-12,19-bis[(4-pyridin-3-ylbenzoyl)oxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] 4-pyridin-3-ylbenzoate)

ethoxyethane;tetrakis(1-methylpyrrolidin-2-one);bis([6,13,20-trimethoxy-12,19-bis[(4-pyridin-3-ylbenzoyl)oxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] 4-pyridin-3-ylbenzoate) (PubChem CID 139157334) has the molecular formula C148H146N10O24 and a molecular weight of 2448.84 g/mol. Its IUPAC name is ethoxyethane;tetrakis(1-methylpyrrolidin-2-one);bis([6,13,20-trimethoxy-12,19-bis[(4-pyridin-3-ylbenzoyl)oxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] 4-pyridin-3-ylbenzoate).

Molecular Properties

• Compound Name: ethoxyethane;tetrakis(1-methylpyrrolidin-2-one);bis([6,13,20-trimethoxy-12,19-bis[(4-pyridin-3-ylbenzoyl)oxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] 4-pyridin-3-ylbenzoate)
• PubChem CID: 139157334
• Molecular Formula: C148H146N10O24
• Molecular Weight: 2448.84 g/mol
• Exact Mass: 2447.05
• IUPAC Name: ethoxyethane;tetrakis(1-methylpyrrolidin-2-one);bis([6,13,20-trimethoxy-12,19-bis[(4-pyridin-3-ylbenzoyl)oxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] 4-pyridin-3-ylbenzoate)
• SMILES: CCOCC.CCOCC.CN1CCCC1=O.CN1CCCC1=O.CN1CCCC1=O.CN1CCCC1=O.COc1cc2c(cc1OC(=O)c1ccc(-c3cccnc3)cc1)Cc1cc(OC)c(OC(=O)c3ccc(-c4cccnc4)cc3)cc1Cc1cc(OC)c(OC(=O)c3ccc(-c4cccnc4)cc3)cc1C2.COc1cc2c(cc1OC(=O)c1ccc(-c3cccnc3)cc1)Cc1cc(OC)c(OC(=O)c3ccc(-c4cccnc4)cc3)cc1Cc1cc(OC)c(OC(=O)c3ccc(-c4cccnc4)cc3)cc1C2
• InChI: InChI=1S/2C60H45N3O9.4C5H9NO.2C4H10O/c2*1-67-52-28-46-25-50-32-56(71-59(65)41-18-12-38(13-19-41)44-8-5-23-62-35-44)54(69-3)30-48(50)27-51-33-57(72-60(66)42-20-14-39(15-21-42)45-9-6-24-63-36-45)53(68-2)29-47(51)26-49(46)31-55(52)70-58(64)40-16-10-37(11-17-40)43-7-4-22-61-34-43;4*1-6-4-2-3-5(6)7;2*1-3-5-4-2/h2*4-24,28-36H,25-27H2,1-3H3;4*2-4H2,1H3;2*3-4H2,1-2H3
• InChIKey: GWMXPJWPHGCHEX-UHFFFAOYSA-N
• XLogP: 26.32
• TPSA: 390.22 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 28
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2448.84
LogP ≤ 5	26.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;tetrakis(1-methylpyrrolidin-2-one);bis([6,13,20-trimethoxy-12,19-bis[(4-pyridin-3-ylbenzoyl)oxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] 4-pyridin-3-ylbenzoate)?

The IUPAC name of ethoxyethane;tetrakis(1-methylpyrrolidin-2-one);bis([6,13,20-trimethoxy-12,19-bis[(4-pyridin-3-ylbenzoyl)oxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] 4-pyridin-3-ylbenzoate) (CID 139157334) is ethoxyethane;tetrakis(1-methylpyrrolidin-2-one);bis([6,13,20-trimethoxy-12,19-bis[(4-pyridin-3-ylbenzoyl)oxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] 4-pyridin-3-ylbenzoate).

What is the SMILES notation for ethoxyethane;tetrakis(1-methylpyrrolidin-2-one);bis([6,13,20-trimethoxy-12,19-bis[(4-pyridin-3-ylbenzoyl)oxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] 4-pyridin-3-ylbenzoate)?

The canonical SMILES for ethoxyethane;tetrakis(1-methylpyrrolidin-2-one);bis([6,13,20-trimethoxy-12,19-bis[(4-pyridin-3-ylbenzoyl)oxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] 4-pyridin-3-ylbenzoate) is CCOCC.CCOCC.CN1CCCC1=O.CN1CCCC1=O.CN1CCCC1=O.CN1CCCC1=O.COc1cc2c(cc1OC(=O)c1ccc(-c3cccnc3)cc1)Cc1cc(OC)c(OC(=O)c3ccc(-c4cccnc4)cc3)cc1Cc1cc(OC)c(OC(=O)c3ccc(-c4cccnc4)cc3)cc1C2.COc1cc2c(cc1OC(=O)c1ccc(-c3cccnc3)cc1)Cc1cc(OC)c(OC(=O)c3ccc(-c4cccnc4)cc3)cc1Cc1cc(OC)c(OC(=O)c3ccc(-c4cccnc4)cc3)cc1C2.

What is the InChIKey of ethoxyethane;tetrakis(1-methylpyrrolidin-2-one);bis([6,13,20-trimethoxy-12,19-bis[(4-pyridin-3-ylbenzoyl)oxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] 4-pyridin-3-ylbenzoate)?

The InChIKey is GWMXPJWPHGCHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H45N3O9.4C5H9NO.2C4H10O/c2*1-67-52-28-46-25-50-32-56(71-59(65)41-18-12-38(13-19-41)44-8-5-23-62-35-44)54(69-3)30-48(50)27-51-33-57(72-60(66)42-20-14-39(15-21-42)45-9-6-24-63-36-45)53(68-2)29-47(51)26-49(46)31-55(52)70-58(64)40-16-10-37(11-17-40)43-7-4-22-61-34-43;4*1-6-4-2-3-5(6)7;2*1-3-5-4-2/h2*4-24,28-36H,25-27H2,1-3H3;4*2-4H2,1H3;2*3-4H2,1-2H3.

What are the key properties of ethoxyethane;tetrakis(1-methylpyrrolidin-2-one);bis([6,13,20-trimethoxy-12,19-bis[(4-pyridin-3-ylbenzoyl)oxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] 4-pyridin-3-ylbenzoate)?

ethoxyethane;tetrakis(1-methylpyrrolidin-2-one);bis([6,13,20-trimethoxy-12,19-bis[(4-pyridin-3-ylbenzoyl)oxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] 4-pyridin-3-ylbenzoate) has a molecular weight of 2448.84 g/mol, XLogP of 26.32, 28 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for ethoxyethane;tetrakis(1-methylpyrrolidin-2-one);bis([6,13,20-trimethoxy-12,19-bis[(4-pyridin-3-ylbenzoyl)oxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] 4-pyridin-3-ylbenzoate) is sourced from PubChem (CID 139157334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).