4-hex-5-enoxy-2-(4-hex-5-enoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium

C42H44N6O2Ru — CID 140648337

IUPAC4-hex-5-enoxy-2-(4-hex-5-enoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESC=CCCCCOc1ccnc(-c2cc(OCCCCC=C)ccn2)c1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C22H28N2O2.2C10H8N2.Ru/c1-3-5-7-9-15-25-19-11-13-23-21(17-19)22-18-20(12-14-24-22)26-16-10-8-6-4-2;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3-4,11-14,17-18H,1-2,5-10,15-16H2;2*1-8H;
InChIKeyMQZYCXUIGFUACY-UHFFFAOYSA-N
MW765.92 g/mol
LogP9.90
Rot. Bonds15

About 4-hex-5-enoxy-2-(4-hex-5-enoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium

4-hex-5-enoxy-2-(4-hex-5-enoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium (PubChem CID 140648337) has the molecular formula C42H44N6O2Ru and a molecular weight of 765.92 g/mol. Its IUPAC name is 4-hex-5-enoxy-2-(4-hex-5-enoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium.

Molecular Properties

Compound Name4-hex-5-enoxy-2-(4-hex-5-enoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium
PubChem CID140648337
Molecular FormulaC42H44N6O2Ru
Molecular Weight765.92 g/mol
Exact Mass766.26
IUPAC Name4-hex-5-enoxy-2-(4-hex-5-enoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESC=CCCCCOc1ccnc(-c2cc(OCCCCC=C)ccn2)c1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C22H28N2O2.2C10H8N2.Ru/c1-3-5-7-9-15-25-19-11-13-23-21(17-19)22-18-20(12-14-24-22)26-16-10-8-6-4-2;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3-4,11-14,17-18H,1-2,5-10,15-16H2;2*1-8H;
InChIKeyMQZYCXUIGFUACY-UHFFFAOYSA-N
XLogP9.90
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.92
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hex-5-enoxy-2-(4-hex-5-enoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium?
The IUPAC name of 4-hex-5-enoxy-2-(4-hex-5-enoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium (CID 140648337) is 4-hex-5-enoxy-2-(4-hex-5-enoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium.
What is the SMILES notation for 4-hex-5-enoxy-2-(4-hex-5-enoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium?
The canonical SMILES for 4-hex-5-enoxy-2-(4-hex-5-enoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium is C=CCCCCOc1ccnc(-c2cc(OCCCCC=C)ccn2)c1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 4-hex-5-enoxy-2-(4-hex-5-enoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium?
The InChIKey is MQZYCXUIGFUACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2.2C10H8N2.Ru/c1-3-5-7-9-15-25-19-11-13-23-21(17-19)22-18-20(12-14-24-22)26-16-10-8-6-4-2;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3-4,11-14,17-18H,1-2,5-10,15-16H2;2*1-8H;.
What are the key properties of 4-hex-5-enoxy-2-(4-hex-5-enoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium?
4-hex-5-enoxy-2-(4-hex-5-enoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium has a molecular weight of 765.92 g/mol, XLogP of 9.90, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hex-5-enoxy-2-(4-hex-5-enoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium is sourced from PubChem (CID 140648337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).