(2,5-dioxopyrrolidin-1-yl) 11-[2-(hydroxymethyl)-3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2-[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));hexachloride

C100H95Cl6N17O8Ru3 — CID 11982328

IUPAC(2,5-dioxopyrrolidin-1-yl) 11-[2-(hydroxymethyl)-3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2-[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));hexachloride
SMILESO=C(CCCCCCCCCCOCC(CO)(COc1ccnc(-c2ccccn2)c1)COc1ccnc(-c2ccccn2)c1)ON1C(=O)CCC1=O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ru+2].[Ru+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C40H47N5O8.6C10H8N2.6ClH.3Ru/c46-27-40(29-51-31-18-22-43-35(25-31)33-13-8-10-20-41-33,30-52-32-19-23-44-36(26-32)34-14-9-11-21-42-34)28-50-24-12-6-4-2-1-3-5-7-15-39(49)53-45-37(47)16-17-38(45)48;6*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;;;/h8-11,13-14,18-23,25-26,46H,1-7,12,15-17,24,27-30H2;6*1-8H;6*1H;;;/q;;;;;;;;;;;;;3*+2/p-6
InChIKeyHDTLOPKQGKIZLH-UHFFFAOYSA-H
MW2178.90 g/mol
LogP1.05
Rot. Bonds29

About (2,5-dioxopyrrolidin-1-yl) 11-[2-(hydroxymethyl)-3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2-[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));hexachloride

(2,5-dioxopyrrolidin-1-yl) 11-[2-(hydroxymethyl)-3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2-[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));hexachloride (PubChem CID 11982328) has the molecular formula C100H95Cl6N17O8Ru3 and a molecular weight of 2178.90 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 11-[2-(hydroxymethyl)-3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2-[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));hexachloride.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 11-[2-(hydroxymethyl)-3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2-[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));hexachloride
PubChem CID11982328
Molecular FormulaC100H95Cl6N17O8Ru3
Molecular Weight2178.90 g/mol
Exact Mass2177.28
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 11-[2-(hydroxymethyl)-3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2-[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));hexachloride
SMILESO=C(CCCCCCCCCCOCC(CO)(COc1ccnc(-c2ccccn2)c1)COc1ccnc(-c2ccccn2)c1)ON1C(=O)CCC1=O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ru+2].[Ru+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C40H47N5O8.6C10H8N2.6ClH.3Ru/c46-27-40(29-51-31-18-22-43-35(25-31)33-13-8-10-20-41-33,30-52-32-19-23-44-36(26-32)34-14-9-11-21-42-34)28-50-24-12-6-4-2-1-3-5-7-15-39(49)53-45-37(47)16-17-38(45)48;6*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;;;/h8-11,13-14,18-23,25-26,46H,1-7,12,15-17,24,27-30H2;6*1-8H;6*1H;;;/q;;;;;;;;;;;;;3*+2/p-6
InChIKeyHDTLOPKQGKIZLH-UHFFFAOYSA-H
XLogP1.05
TPSA317.84 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds29
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002178.90
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2,5-dioxopyrrolidin-1-yl) 11-[2-(hydroxymethyl)-3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2-[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));hexachloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 11-[2-(hydroxymethyl)-3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2-[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));hexachloride?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 11-[2-(hydroxymethyl)-3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2-[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));hexachloride (CID 11982328) is (2,5-dioxopyrrolidin-1-yl) 11-[2-(hydroxymethyl)-3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2-[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));hexachloride.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 11-[2-(hydroxymethyl)-3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2-[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));hexachloride?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 11-[2-(hydroxymethyl)-3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2-[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));hexachloride is O=C(CCCCCCCCCCOCC(CO)(COc1ccnc(-c2ccccn2)c1)COc1ccnc(-c2ccccn2)c1)ON1C(=O)CCC1=O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ru+2].[Ru+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 11-[2-(hydroxymethyl)-3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2-[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));hexachloride?
The InChIKey is HDTLOPKQGKIZLH-UHFFFAOYSA-H. The full InChI is InChI=1S/C40H47N5O8.6C10H8N2.6ClH.3Ru/c46-27-40(29-51-31-18-22-43-35(25-31)33-13-8-10-20-41-33,30-52-32-19-23-44-36(26-32)34-14-9-11-21-42-34)28-50-24-12-6-4-2-1-3-5-7-15-39(49)53-45-37(47)16-17-38(45)48;6*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;;;/h8-11,13-14,18-23,25-26,46H,1-7,12,15-17,24,27-30H2;6*1-8H;6*1H;;;/q;;;;;;;;;;;;;3*+2/p-6.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 11-[2-(hydroxymethyl)-3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2-[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));hexachloride?
(2,5-dioxopyrrolidin-1-yl) 11-[2-(hydroxymethyl)-3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2-[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));hexachloride has a molecular weight of 2178.90 g/mol, XLogP of 1.05, 29 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 11-[2-(hydroxymethyl)-3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2-[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);tris(ruthenium(2+));hexachloride is sourced from PubChem (CID 11982328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).