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

C110H101N19O8Ru3 — CID 59993686

IUPAC(2,5-dioxopyrrolidin-1-yl) 11-[3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2,2-bis[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);ruthenium
SMILESO=C(CCCCCCCCCCOCC(COc1ccnc(-c2ccccn2)c1)(COc1ccnc(-c2ccccn2)c1)COc1ccnc(-c2ccccn2)c1)ON1C(=O)CCC1=O.[Ru].[Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C50H53N7O8.6C10H8N2.3Ru/c58-47-19-20-48(59)57(47)65-49(60)18-7-5-3-1-2-4-6-14-30-61-34-50(35-62-38-21-27-54-44(31-38)41-15-8-11-24-51-41,36-63-39-22-28-55-45(32-39)42-16-9-12-25-52-42)37-64-40-23-29-56-46(33-40)43-17-10-13-26-53-43;6*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h8-13,15-17,21-29,31-33H,1-7,14,18-20,30,34-37H2;6*1-8H;;;
InChIKeyNJXKWZAYVWTMPU-UHFFFAOYSA-N
MW2120.35 g/mol
LogP21.57
Rot. Bonds32

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

(2,5-dioxopyrrolidin-1-yl) 11-[3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2,2-bis[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);ruthenium (PubChem CID 59993686) has the molecular formula C110H101N19O8Ru3 and a molecular weight of 2120.35 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 11-[3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2,2-bis[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);ruthenium.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 11-[3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2,2-bis[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);ruthenium
PubChem CID59993686
Molecular FormulaC110H101N19O8Ru3
Molecular Weight2120.35 g/mol
Exact Mass2121.52
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 11-[3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2,2-bis[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);ruthenium
SMILESO=C(CCCCCCCCCCOCC(COc1ccnc(-c2ccccn2)c1)(COc1ccnc(-c2ccccn2)c1)COc1ccnc(-c2ccccn2)c1)ON1C(=O)CCC1=O.[Ru].[Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C50H53N7O8.6C10H8N2.3Ru/c58-47-19-20-48(59)57(47)65-49(60)18-7-5-3-1-2-4-6-14-30-61-34-50(35-62-38-21-27-54-44(31-38)41-15-8-11-24-51-41,36-63-39-22-28-55-45(32-39)42-16-9-12-25-52-42)37-64-40-23-29-56-46(33-40)43-17-10-13-26-53-43;6*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h8-13,15-17,21-29,31-33H,1-7,14,18-20,30,34-37H2;6*1-8H;;;
InChIKeyNJXKWZAYVWTMPU-UHFFFAOYSA-N
XLogP21.57
TPSA332.62 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds32
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002120.35
LogP ≤ 521.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

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-[3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2,2-bis[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);ruthenium with MolForge

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Launch Full Analysis

Related Compounds

Hexakis(2-pyridin-2-ylpyridine);11-[3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2,2-bis[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoic acid;ruthenium
CID 59993689
4-Hex-5-enoxy-2-(4-hex-5-enoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 140648337
5-(dithiolan-3-yl)-N-[5-[[2-[4-[11-(dithiolan-3-yl)-7-oxoundecoxy]-2-pyridinyl]-4-pyridinyl]oxy]pentyl]pentanamide;bis(2-pyridin-2-ylpyridine);ruthenium
CID 157056354
Acetic acid;4-butoxy-2-(4-butoxy-2-pyridinyl)pyridine;tetrakis(dichloroplatinum);4-ethoxy-2-(4-ethoxy-2-pyridinyl)pyridine;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;tetrakis(prop-1-en-2-ol);4-propoxy-2-(4-propoxy-2-pyridinyl)pyridine
CID 157466655
bis(cobalt(2+));tris(cobalt(3+));(Z)-18-[2-[4-[(E)-17-formyloxyheptadec-9-enyl]-2-pyridinyl]-4-pyridinyl]octadec-9-enoic acid;(E)-18-[2-[4-[(E)-17-formyloxyheptadec-9-enyl]-2-pyridinyl]-4-pyridinyl]octadec-9-enoic acid;hexakis(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);hexakis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);(E)-18-[2-[4-[(E)-octadec-9-enyl]-2-pyridinyl]-4-pyridinyl]octadec-9-enoic acid
CID 157683589
Acetic acid;tris(dichloroplatinum);4-hexoxy-2-(4-hexoxy-2-pyridinyl)pyridine;4-octoxy-2-(4-octoxy-2-pyridinyl)pyridine;4-pentoxy-2-(4-pentoxy-2-pyridinyl)pyridine;tris(prop-1-en-2-ol)
CID 157843552
S-[6-[[2-[4-(6-acetylsulfanylhexoxy)-2-pyridinyl]-4-pyridinyl]oxy]hexyl] ethanethioate;ethanethioic S-acid;4-hex-5-enoxy-2-(4-hex-5-enoxy-2-pyridinyl)pyridine;tetrakis(2-pyridin-2-ylpyridine);ruthenium
CID 159557688
Dichloro-(dichloro-lambda3-chloranyl)-lambda3-chlorane;hexakis(2-pyridin-2-ylpyridine);11-[3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2,2-bis[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoic acid;ruthenium
CID 160003124
Acetic acid;4-butoxy-2-(4-butoxy-2-pyridinyl)pyridine;tetrakis(dichloroplatinum);4-hexoxy-2-(4-hexoxy-2-pyridinyl)pyridine;4-octoxy-2-(4-octoxy-2-pyridinyl)pyridine;4-pentoxy-2-(4-pentoxy-2-pyridinyl)pyridine
CID 161954150
Dichlororuthenium;4-hex-5-enoxy-2-(4-hex-5-enoxy-2-pyridinyl)pyridine;2-(4-hex-5-enoxy-2-pyridinyl)-4-(6-methylhept-5-enoxy)pyridine;tetrakis(2-pyridin-2-ylpyridine);ruthenium
CID 162080287
(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+));hexahexafluorophosphate
CID 11982260
(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
CID 11982261

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 11-[3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2,2-bis[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);ruthenium?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 11-[3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2,2-bis[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);ruthenium (CID 59993686) is (2,5-dioxopyrrolidin-1-yl) 11-[3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2,2-bis[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);ruthenium.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 11-[3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2,2-bis[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);ruthenium?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 11-[3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2,2-bis[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);ruthenium is O=C(CCCCCCCCCCOCC(COc1ccnc(-c2ccccn2)c1)(COc1ccnc(-c2ccccn2)c1)COc1ccnc(-c2ccccn2)c1)ON1C(=O)CCC1=O.[Ru].[Ru].[Ru].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-[3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2,2-bis[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);ruthenium?
The InChIKey is NJXKWZAYVWTMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H53N7O8.6C10H8N2.3Ru/c58-47-19-20-48(59)57(47)65-49(60)18-7-5-3-1-2-4-6-14-30-61-34-50(35-62-38-21-27-54-44(31-38)41-15-8-11-24-51-41,36-63-39-22-28-55-45(32-39)42-16-9-12-25-52-42)37-64-40-23-29-56-46(33-40)43-17-10-13-26-53-43;6*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h8-13,15-17,21-29,31-33H,1-7,14,18-20,30,34-37H2;6*1-8H;;;.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 11-[3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2,2-bis[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);ruthenium?
(2,5-dioxopyrrolidin-1-yl) 11-[3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2,2-bis[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);ruthenium has a molecular weight of 2120.35 g/mol, XLogP of 21.57, 32 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 11-[3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2,2-bis[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoate;hexakis(2-pyridin-2-ylpyridine);ruthenium is sourced from PubChem (CID 59993686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).