dibutyl-pentyl-(6-pyridin-2-yl-2-pyridinyl)stannane

C23H36N2Sn — CID 144702950

IUPACdibutyl-pentyl-(6-pyridin-2-yl-2-pyridinyl)stannane
SMILESCCCCC[Sn](CCCC)(CCCC)c1cccc(-c2ccccn2)n1
InChIInChI=1S/C10H7N2.C5H11.2C4H9.Sn/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-5-4-2;2*1-3-4-2;/h1-7H;1,3-5H2,2H3;2*1,3-4H2,2H3;
InChIKeyURIOVJSYBJDGLH-UHFFFAOYSA-N
MW459.27 g/mol
LogP6.59
Rot. Bonds12

About dibutyl-pentyl-(6-pyridin-2-yl-2-pyridinyl)stannane

dibutyl-pentyl-(6-pyridin-2-yl-2-pyridinyl)stannane (PubChem CID 144702950) has the molecular formula C23H36N2Sn and a molecular weight of 459.27 g/mol. Its IUPAC name is dibutyl-pentyl-(6-pyridin-2-yl-2-pyridinyl)stannane.

Molecular Properties

Compound Namedibutyl-pentyl-(6-pyridin-2-yl-2-pyridinyl)stannane
PubChem CID144702950
Molecular FormulaC23H36N2Sn
Molecular Weight459.27 g/mol
Exact Mass460.19
IUPAC Namedibutyl-pentyl-(6-pyridin-2-yl-2-pyridinyl)stannane
SMILESCCCCC[Sn](CCCC)(CCCC)c1cccc(-c2ccccn2)n1
InChIInChI=1S/C10H7N2.C5H11.2C4H9.Sn/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-5-4-2;2*1-3-4-2;/h1-7H;1,3-5H2,2H3;2*1,3-4H2,2H3;
InChIKeyURIOVJSYBJDGLH-UHFFFAOYSA-N
XLogP6.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.27
LogP ≤ 56.59
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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Frequently Asked Questions

What is the IUPAC name of dibutyl-pentyl-(6-pyridin-2-yl-2-pyridinyl)stannane?
The IUPAC name of dibutyl-pentyl-(6-pyridin-2-yl-2-pyridinyl)stannane (CID 144702950) is dibutyl-pentyl-(6-pyridin-2-yl-2-pyridinyl)stannane.
What is the SMILES notation for dibutyl-pentyl-(6-pyridin-2-yl-2-pyridinyl)stannane?
The canonical SMILES for dibutyl-pentyl-(6-pyridin-2-yl-2-pyridinyl)stannane is CCCCC[Sn](CCCC)(CCCC)c1cccc(-c2ccccn2)n1.
What is the InChIKey of dibutyl-pentyl-(6-pyridin-2-yl-2-pyridinyl)stannane?
The InChIKey is URIOVJSYBJDGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N2.C5H11.2C4H9.Sn/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-5-4-2;2*1-3-4-2;/h1-7H;1,3-5H2,2H3;2*1,3-4H2,2H3;.
What are the key properties of dibutyl-pentyl-(6-pyridin-2-yl-2-pyridinyl)stannane?
dibutyl-pentyl-(6-pyridin-2-yl-2-pyridinyl)stannane has a molecular weight of 459.27 g/mol, XLogP of 6.59, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-pentyl-(6-pyridin-2-yl-2-pyridinyl)stannane is sourced from PubChem (CID 144702950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).