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

C106H98N18O6Ru3 — CID 59993689

IUPAChexakis(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
SMILESO=C(O)CCCCCCCCCCOCC(COc1ccnc(-c2ccccn2)c1)(COc1ccnc(-c2ccccn2)c1)COc1ccnc(-c2ccccn2)c1.[Ru].[Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C46H50N6O6.6C10H8N2.3Ru/c53-45(54)18-7-5-3-1-2-4-6-14-28-55-32-46(33-56-36-19-25-50-42(29-36)39-15-8-11-22-47-39,34-57-37-20-26-51-43(30-37)40-16-9-12-23-48-40)35-58-38-21-27-52-44(31-38)41-17-10-13-24-49-41;6*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h8-13,15-17,19-27,29-31H,1-7,14,18,28,32-35H2,(H,53,54);6*1-8H;;;
InChIKeySKDWPGOZPGLMLY-UHFFFAOYSA-N
MW2023.28 g/mol
LogP22.05
Rot. Bonds31

About 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

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 (PubChem CID 59993689) has the molecular formula C106H98N18O6Ru3 and a molecular weight of 2023.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namehexakis(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
PubChem CID59993689
Molecular FormulaC106H98N18O6Ru3
Molecular Weight2023.28 g/mol
Exact Mass2024.50
IUPAC Namehexakis(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
SMILESO=C(O)CCCCCCCCCCOCC(COc1ccnc(-c2ccccn2)c1)(COc1ccnc(-c2ccccn2)c1)COc1ccnc(-c2ccccn2)c1.[Ru].[Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C46H50N6O6.6C10H8N2.3Ru/c53-45(54)18-7-5-3-1-2-4-6-14-28-55-32-46(33-56-36-19-25-50-42(29-36)39-15-8-11-22-47-39,34-57-37-20-26-51-43(30-37)40-16-9-12-23-48-40)35-58-38-21-27-52-44(31-38)41-17-10-13-24-49-41;6*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h8-13,15-17,19-27,29-31H,1-7,14,18,28,32-35H2,(H,53,54);6*1-8H;;;
InChIKeySKDWPGOZPGLMLY-UHFFFAOYSA-N
XLogP22.05
TPSA306.24 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds31
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002023.28
LogP ≤ 522.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);osmium
CID 9875907
[2-(4-Formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)
CID 58321388
(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
11-[3-[(2-Pyridin-2-yl-4-pyridinyl)oxy]-2,2-bis[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoic acid
CID 59993690
Bis(2-pyridin-2-ylpyridine);ruthenium(2+);6-[[2-[4-(6-sulfanylhexoxy)-2-pyridinyl]-4-pyridinyl]oxy]hexane-1-thiol
CID 140648334
4-Hex-5-enoxy-2-(4-hex-5-enoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 140648337
Cobalt(2+);tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine)
CID 140694718
Cobalt(3+);tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine)
CID 140694725
Bis(2-pyridin-2-ylpyridine);ruthenium;6-[[2-[4-(6-sulfanylhexoxy)-2-pyridinyl]-4-pyridinyl]oxy]hexane-1-thiol
CID 155627866
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(O)CCCCCCCCCCOCC(COc1ccnc(-c2ccccn2)c1)(COc1ccnc(-c2ccccn2)c1)COc1ccnc(-c2ccccn2)c1.[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 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?
The InChIKey is SKDWPGOZPGLMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H50N6O6.6C10H8N2.3Ru/c53-45(54)18-7-5-3-1-2-4-6-14-28-55-32-46(33-56-36-19-25-50-42(29-36)39-15-8-11-22-47-39,34-57-37-20-26-51-43(30-37)40-16-9-12-23-48-40)35-58-38-21-27-52-44(31-38)41-17-10-13-24-49-41;6*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h8-13,15-17,19-27,29-31H,1-7,14,18,28,32-35H2,(H,53,54);6*1-8H;;;.
What are the key properties of 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?
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 has a molecular weight of 2023.28 g/mol, XLogP of 22.05, 31 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59993689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).