trimethyl-[[25,26,27,28-tetramethoxy-11,17,23-tris[(trimethylazaniumyl)methyl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methyl]azanium

C48H72N4O4+4 — CID 11286035

About trimethyl-[[25,26,27,28-tetramethoxy-11,17,23-tris[(trimethylazaniumyl)methyl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methyl]azanium

trimethyl-[[25,26,27,28-tetramethoxy-11,17,23-tris[(trimethylazaniumyl)methyl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methyl]azanium (PubChem CID 11286035) has the molecular formula C48H72N4O4+4 and a molecular weight of 769.13 g/mol. Its IUPAC name is trimethyl-[[25,26,27,28-tetramethoxy-11,17,23-tris[(trimethylazaniumyl)methyl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methyl]azanium.

Molecular Properties

• Compound Name: trimethyl-[[25,26,27,28-tetramethoxy-11,17,23-tris[(trimethylazaniumyl)methyl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methyl]azanium
• PubChem CID: 11286035
• Molecular Formula: C48H72N4O4+4
• Molecular Weight: 769.13 g/mol
• Exact Mass: 768.55
• IUPAC Name: trimethyl-[[25,26,27,28-tetramethoxy-11,17,23-tris[(trimethylazaniumyl)methyl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methyl]azanium
• SMILES: COc1c2cc(C[N+](C)(C)C)cc1Cc1cc(C[N+](C)(C)C)cc(c1OC)Cc1cc(C[N+](C)(C)C)cc(c1OC)Cc1cc(C[N+](C)(C)C)cc(c1OC)C2
• InChI: InChI=1S/C48H72N4O4/c1-49(2,3)29-33-17-37-25-39-19-34(30-50(4,5)6)21-41(46(39)54-14)27-43-23-36(32-52(10,11)12)24-44(48(43)56-16)28-42-22-35(31-51(7,8)9)20-40(47(42)55-15)26-38(18-33)45(37)53-13/h17-24H,25-32H2,1-16H3/q+4
• InChIKey: LOIDJNQEWPUAQA-UHFFFAOYSA-N
• XLogP: 7.22
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.13
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[25,26,27,28-tetramethoxy-11,17,23-tris[(trimethylazaniumyl)methyl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methyl]azanium?

The IUPAC name of trimethyl-[[25,26,27,28-tetramethoxy-11,17,23-tris[(trimethylazaniumyl)methyl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methyl]azanium (CID 11286035) is trimethyl-[[25,26,27,28-tetramethoxy-11,17,23-tris[(trimethylazaniumyl)methyl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methyl]azanium.

What is the SMILES notation for trimethyl-[[25,26,27,28-tetramethoxy-11,17,23-tris[(trimethylazaniumyl)methyl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methyl]azanium?

The canonical SMILES for trimethyl-[[25,26,27,28-tetramethoxy-11,17,23-tris[(trimethylazaniumyl)methyl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methyl]azanium is COc1c2cc(C[N+](C)(C)C)cc1Cc1cc(C[N+](C)(C)C)cc(c1OC)Cc1cc(C[N+](C)(C)C)cc(c1OC)Cc1cc(C[N+](C)(C)C)cc(c1OC)C2.

What is the InChIKey of trimethyl-[[25,26,27,28-tetramethoxy-11,17,23-tris[(trimethylazaniumyl)methyl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methyl]azanium?

The InChIKey is LOIDJNQEWPUAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H72N4O4/c1-49(2,3)29-33-17-37-25-39-19-34(30-50(4,5)6)21-41(46(39)54-14)27-43-23-36(32-52(10,11)12)24-44(48(43)56-16)28-42-22-35(31-51(7,8)9)20-40(47(42)55-15)26-38(18-33)45(37)53-13/h17-24H,25-32H2,1-16H3/q+4.

What are the key properties of trimethyl-[[25,26,27,28-tetramethoxy-11,17,23-tris[(trimethylazaniumyl)methyl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methyl]azanium?

trimethyl-[[25,26,27,28-tetramethoxy-11,17,23-tris[(trimethylazaniumyl)methyl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methyl]azanium has a molecular weight of 769.13 g/mol, XLogP of 7.22, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[[25,26,27,28-tetramethoxy-11,17,23-tris[(trimethylazaniumyl)methyl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methyl]azanium is sourced from PubChem (CID 11286035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).