4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium

C22H32N2Ru — CID 159580616

IUPAC4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium
SMILESCCCCCCc1ccnc(-c2cc(CCCCCC)ccn2)c1.[Ru]
InChIInChI=1S/C22H32N2.Ru/c1-3-5-7-9-11-19-13-15-23-21(17-19)22-18-20(14-16-24-22)12-10-8-6-4-2;/h13-18H,3-12H2,1-2H3;
InChIKeyMIYXSYMNNQDJKN-UHFFFAOYSA-N
MW425.58 g/mol
LogP6.39
Rot. Bonds11

About 4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium

4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium (PubChem CID 159580616) has the molecular formula C22H32N2Ru and a molecular weight of 425.58 g/mol. Its IUPAC name is 4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium.

Molecular Properties

Compound Name4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium
PubChem CID159580616
Molecular FormulaC22H32N2Ru
Molecular Weight425.58 g/mol
Exact Mass426.16
IUPAC Name4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium
SMILESCCCCCCc1ccnc(-c2cc(CCCCCC)ccn2)c1.[Ru]
InChIInChI=1S/C22H32N2.Ru/c1-3-5-7-9-11-19-13-15-23-21(17-19)22-18-20(14-16-24-22)12-10-8-6-4-2;/h13-18H,3-12H2,1-2H3;
InChIKeyMIYXSYMNNQDJKN-UHFFFAOYSA-N
XLogP6.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine
CID 11283283
4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine
CID 12503697
2-(4-decyl-2-pyridinyl)-4-octylpyridine
CID 102418537
4-tridecyl-2-(4-tridecyl-2-pyridinyl)pyridine
CID 15313372
cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine)
CID 140844101
2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine
CID 12820693
2-chloro-4-hexadecylpyridine
CID 170566187
2-chloro-4-pentadecylpyridine
CID 174517606
6-[2-[4-(6-sulfanylhexyl)-2-pyridinyl]-4-pyridinyl]hexane-1-thiol
CID 122371372
triethoxy-[9-[2-[4-[9-(triethoxy-λ4-sulfanyl)nonyl]-2-pyridinyl]-4-pyridinyl]nonyl]-λ4-sulfane
CID 142565663
(4-octyl-2-pyridinyl)methanol
CID 156538031
4-docosylpyridine-2-carboxylic acid
CID 174759337

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium?
The IUPAC name of 4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium (CID 159580616) is 4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium.
What is the SMILES notation for 4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium?
The canonical SMILES for 4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium is CCCCCCc1ccnc(-c2cc(CCCCCC)ccn2)c1.[Ru].
What is the InChIKey of 4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium?
The InChIKey is MIYXSYMNNQDJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2.Ru/c1-3-5-7-9-11-19-13-15-23-21(17-19)22-18-20(14-16-24-22)12-10-8-6-4-2;/h13-18H,3-12H2,1-2H3;.
What are the key properties of 4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium?
4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium has a molecular weight of 425.58 g/mol, XLogP of 6.39, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium is sourced from PubChem (CID 159580616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).