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

C86H92Cl2N12O4Ru2 — CID 162080287

IUPACdichlororuthenium;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
SMILESC=CCCCCOc1ccnc(-c2cc(OCCCCC=C(C)C)ccn2)c1.C=CCCCCOc1ccnc(-c2cc(OCCCCC=C)ccn2)c1.Cl[Ru]Cl.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C24H32N2O2.C22H28N2O2.4C10H8N2.2ClH.2Ru/c1-4-5-6-9-16-27-21-12-14-25-23(18-21)24-19-22(13-15-26-24)28-17-10-7-8-11-20(2)3;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;;;;/h4,11-15,18-19H,1,5-10,16-17H2,2-3H3;3-4,11-14,17-18H,1-2,5-10,15-16H2;4*1-8H;2*1H;;/q;;;;;;;;;+2/p-2
InChIKeyZCGCPWSGOBUOEL-UHFFFAOYSA-L
MW1630.81 g/mol
LogP21.96
Rot. Bonds30

About 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

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 (PubChem CID 162080287) has the molecular formula C86H92Cl2N12O4Ru2 and a molecular weight of 1630.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namedichlororuthenium;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
PubChem CID162080287
Molecular FormulaC86H92Cl2N12O4Ru2
Molecular Weight1630.81 g/mol
Exact Mass1630.48
IUPAC Namedichlororuthenium;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
SMILESC=CCCCCOc1ccnc(-c2cc(OCCCCC=C(C)C)ccn2)c1.C=CCCCCOc1ccnc(-c2cc(OCCCCC=C)ccn2)c1.Cl[Ru]Cl.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C24H32N2O2.C22H28N2O2.4C10H8N2.2ClH.2Ru/c1-4-5-6-9-16-27-21-12-14-25-23(18-21)24-19-22(13-15-26-24)28-17-10-7-8-11-20(2)3;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;;;;/h4,11-15,18-19H,1,5-10,16-17H2,2-3H3;3-4,11-14,17-18H,1-2,5-10,15-16H2;4*1-8H;2*1H;;/q;;;;;;;;;+2/p-2
InChIKeyZCGCPWSGOBUOEL-UHFFFAOYSA-L
XLogP21.96
TPSA191.60 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds30
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001630.81
LogP ≤ 521.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CCCCCOc1ccnc(-c2cc(OCCCCC=C(C)C)ccn2)c1.C=CCCCCOc1ccnc(-c2cc(OCCCCC=C)ccn2)c1.Cl[Ru]Cl.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 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?
The InChIKey is ZCGCPWSGOBUOEL-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H32N2O2.C22H28N2O2.4C10H8N2.2ClH.2Ru/c1-4-5-6-9-16-27-21-12-14-25-23(18-21)24-19-22(13-15-26-24)28-17-10-7-8-11-20(2)3;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;;;;/h4,11-15,18-19H,1,5-10,16-17H2,2-3H3;3-4,11-14,17-18H,1-2,5-10,15-16H2;4*1-8H;2*1H;;/q;;;;;;;;;+2/p-2.
What are the key properties of 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?
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 has a molecular weight of 1630.81 g/mol, XLogP of 21.96, 30 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162080287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).