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

C90H100N12O7Ru2S3 — CID 159557688

IUPACS-[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
SMILESC=CCCCCOc1ccnc(-c2cc(OCCCCC=C)ccn2)c1.CC(=O)S.CC(=O)SCCCCCCOc1ccnc(-c2cc(OCCCCCCSC(C)=O)ccn2)c1.[Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C26H36N2O4S2.C22H28N2O2.4C10H8N2.C2H4OS.2Ru/c1-21(29)33-17-9-5-3-7-15-31-23-11-13-27-25(19-23)26-20-24(12-14-28-26)32-16-8-4-6-10-18-34-22(2)30;1-3-5-7-9-15-25-19-11-13-23-21(17-19)22-18-20(12-14-24-22)26-16-10-8-6-4-2;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2(3)4;;/h11-14,19-20H,3-10,15-18H2,1-2H3;3-4,11-14,17-18H,1-2,5-10,15-16H2;4*1-8H;1H3,(H,3,4);;
InChIKeyMGEWLJCGYQYUMN-UHFFFAOYSA-N
MW1760.21 g/mol
LogP21.23
Rot. Bonds34

About 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

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 (PubChem CID 159557688) has the molecular formula C90H100N12O7Ru2S3 and a molecular weight of 1760.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameS-[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
PubChem CID159557688
Molecular FormulaC90H100N12O7Ru2S3
Molecular Weight1760.21 g/mol
Exact Mass1760.51
IUPAC NameS-[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
SMILESC=CCCCCOc1ccnc(-c2cc(OCCCCC=C)ccn2)c1.CC(=O)S.CC(=O)SCCCCCCOc1ccnc(-c2cc(OCCCCCCSC(C)=O)ccn2)c1.[Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C26H36N2O4S2.C22H28N2O2.4C10H8N2.C2H4OS.2Ru/c1-21(29)33-17-9-5-3-7-15-31-23-11-13-27-25(19-23)26-20-24(12-14-28-26)32-16-8-4-6-10-18-34-22(2)30;1-3-5-7-9-15-25-19-11-13-23-21(17-19)22-18-20(12-14-24-22)26-16-10-8-6-4-2;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2(3)4;;/h11-14,19-20H,3-10,15-18H2,1-2H3;3-4,11-14,17-18H,1-2,5-10,15-16H2;4*1-8H;1H3,(H,3,4);;
InChIKeyMGEWLJCGYQYUMN-UHFFFAOYSA-N
XLogP21.23
TPSA242.81 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds34
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001760.21
LogP ≤ 521.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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CID 86044923
bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-pyridin-2-ylpyridine
CID 67748383
S-[6-[(2,6-diacetamido-4-pyridinyl)oxy]hexyl] ethanethioate
CID 57412618
3-[6-(1,2,4-triazin-3-yl)-4-undec-10-enoxy-2-pyridinyl]-1,2,4-triazine
CID 122204823
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CID 68733496
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-hydroxy-5-undec-10-enoxybenzaldehyde
CID 21260819
2-bromo-4-pent-4-enoxypyridine
CID 145438078
5-[4,5-bis(5-acetylsulfanylpentyl)-2-(5-benzoyloxypentyl)phenyl]pentyl benzoate
CID 71740622
4-(2-methoxyethoxy)-2,6-dipyridin-2-ylpyridine
CID 14879099
(E)-N-[(2-pyridin-2-yl-4-pyridinyl)oxy]ethanimine
CID 127261349
3-bromoprop-1-ene;N,N-diethylethanamine;ethanethioic S-acid;S-[11-(2-hydroxyethoxy)undecyl] ethanethioate;11-(2-prop-2-enoxyethoxy)undecane-1-thiol;S-[11-(2-prop-2-enoxyethoxy)undecyl] ethanethioate;2-undec-10-enoxyethanol
CID 160786567

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CCCCCOc1ccnc(-c2cc(OCCCCC=C)ccn2)c1.CC(=O)S.CC(=O)SCCCCCCOc1ccnc(-c2cc(OCCCCCCSC(C)=O)ccn2)c1.[Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 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?
The InChIKey is MGEWLJCGYQYUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4S2.C22H28N2O2.4C10H8N2.C2H4OS.2Ru/c1-21(29)33-17-9-5-3-7-15-31-23-11-13-27-25(19-23)26-20-24(12-14-28-26)32-16-8-4-6-10-18-34-22(2)30;1-3-5-7-9-15-25-19-11-13-23-21(17-19)22-18-20(12-14-24-22)26-16-10-8-6-4-2;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2(3)4;;/h11-14,19-20H,3-10,15-18H2,1-2H3;3-4,11-14,17-18H,1-2,5-10,15-16H2;4*1-8H;1H3,(H,3,4);;.
What are the key properties of 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?
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 has a molecular weight of 1760.21 g/mol, XLogP of 21.23, 34 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159557688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).