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

C57H71N7O4RuS4 — CID 157056354

IUPAC5-(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
SMILESO=C(CCCCCCOc1ccnc(-c2cc(OCCCCCNC(=O)CCCCC3CCSS3)ccn2)c1)CCCCC1CCSS1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C37H55N3O4S4.2C10H8N2.Ru/c41-30(13-5-6-14-33-19-26-45-47-33)12-4-1-2-10-24-43-31-17-22-38-35(28-31)36-29-32(18-23-39-36)44-25-11-3-9-21-40-37(42)16-8-7-15-34-20-27-46-48-34;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h17-18,22-23,28-29,33-34H,1-16,19-21,24-27H2,(H,40,42);2*1-8H;
InChIKeyAAUNQZJJQBMBTO-UHFFFAOYSA-N
MW1147.58 g/mol
LogP14.42
Rot. Bonds28

About 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

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 (PubChem CID 157056354) has the molecular formula C57H71N7O4RuS4 and a molecular weight of 1147.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID157056354
Molecular FormulaC57H71N7O4RuS4
Molecular Weight1147.58 g/mol
Exact Mass1147.35
IUPAC Name5-(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
SMILESO=C(CCCCCCOc1ccnc(-c2cc(OCCCCCNC(=O)CCCCC3CCSS3)ccn2)c1)CCCCC1CCSS1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C37H55N3O4S4.2C10H8N2.Ru/c41-30(13-5-6-14-33-19-26-45-47-33)12-4-1-2-10-24-43-31-17-22-38-35(28-31)36-29-32(18-23-39-36)44-25-11-3-9-21-40-37(42)16-8-7-15-34-20-27-46-48-34;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h17-18,22-23,28-29,33-34H,1-16,19-21,24-27H2,(H,40,42);2*1-8H;
InChIKeyAAUNQZJJQBMBTO-UHFFFAOYSA-N
XLogP14.42
TPSA141.97 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds28
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001147.58
LogP ≤ 514.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

(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
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
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
S-[6-[[2-[4-(6-acetylsulfanylhexoxy)-2-pyridinyl]-4-pyridinyl]oxy]hexyl] ethanethioate;bis(2-pyridin-2-ylpyridine);ruthenium
CID 140648341
Bis(2-pyridin-2-ylpyridine);ruthenium;6-[[2-[4-(6-sulfanylhexoxy)-2-pyridinyl]-4-pyridinyl]oxy]hexane-1-thiol
CID 155627866
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
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;bis(iridium);tetrakis(2-phenylpyridine);dichloride
CID 160962189
N-[5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentyl]-5-(dithiolan-3-yl)pentanamide
CID 10929431
5-(dithiolan-3-yl)-N-[5-[[2-[4-[11-(dithiolan-3-yl)-7-oxoundecoxy]-2-pyridinyl]-4-pyridinyl]oxy]pentyl]pentanamide
CID 157056355

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(CCCCCCOc1ccnc(-c2cc(OCCCCCNC(=O)CCCCC3CCSS3)ccn2)c1)CCCCC1CCSS1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 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?
The InChIKey is AAUNQZJJQBMBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H55N3O4S4.2C10H8N2.Ru/c41-30(13-5-6-14-33-19-26-45-47-33)12-4-1-2-10-24-43-31-17-22-38-35(28-31)36-29-32(18-23-39-36)44-25-11-3-9-21-40-37(42)16-8-7-15-34-20-27-46-48-34;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h17-18,22-23,28-29,33-34H,1-16,19-21,24-27H2,(H,40,42);2*1-8H;.
What are the key properties of 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?
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 has a molecular weight of 1147.58 g/mol, XLogP of 14.42, 28 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157056354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).