tributyl-[2-(6-phenyl-4-tributylstannylpyridazin-3-yl)-3-pyridinyl]stannane

C39H63N3Sn2 — CID 86079466

IUPACtributyl-[2-(6-phenyl-4-tributylstannylpyridazin-3-yl)-3-pyridinyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cccnc1-c1nnc(-c2ccccc2)cc1[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C15H9N3.6C4H9.2Sn/c1-2-6-12(7-3-1)13-9-10-15(18-17-13)14-8-4-5-11-16-14;6*1-3-4-2;;/h1-7,9,11H;6*1,3-4H2,2H3;;
InChIKeyPCUJWWALBJEBLN-UHFFFAOYSA-N
MW811.38 g/mol
LogP11.32
Rot. Bonds22

About tributyl-[2-(6-phenyl-4-tributylstannylpyridazin-3-yl)-3-pyridinyl]stannane

tributyl-[2-(6-phenyl-4-tributylstannylpyridazin-3-yl)-3-pyridinyl]stannane (PubChem CID 86079466) has the molecular formula C39H63N3Sn2 and a molecular weight of 811.38 g/mol. Its IUPAC name is tributyl-[2-(6-phenyl-4-tributylstannylpyridazin-3-yl)-3-pyridinyl]stannane.

Molecular Properties

Compound Nametributyl-[2-(6-phenyl-4-tributylstannylpyridazin-3-yl)-3-pyridinyl]stannane
PubChem CID86079466
Molecular FormulaC39H63N3Sn2
Molecular Weight811.38 g/mol
Exact Mass813.31
IUPAC Nametributyl-[2-(6-phenyl-4-tributylstannylpyridazin-3-yl)-3-pyridinyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cccnc1-c1nnc(-c2ccccc2)cc1[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C15H9N3.6C4H9.2Sn/c1-2-6-12(7-3-1)13-9-10-15(18-17-13)14-8-4-5-11-16-14;6*1-3-4-2;;/h1-7,9,11H;6*1,3-4H2,2H3;;
InChIKeyPCUJWWALBJEBLN-UHFFFAOYSA-N
XLogP11.32
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.38
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tributyl-[2-(6-phenyl-4-tributylstannylpyridazin-3-yl)-3-pyridinyl]stannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tributyl-[2-(6-phenyl-4-tributylstannylpyridazin-3-yl)-3-pyridinyl]stannane?
The IUPAC name of tributyl-[2-(6-phenyl-4-tributylstannylpyridazin-3-yl)-3-pyridinyl]stannane (CID 86079466) is tributyl-[2-(6-phenyl-4-tributylstannylpyridazin-3-yl)-3-pyridinyl]stannane.
What is the SMILES notation for tributyl-[2-(6-phenyl-4-tributylstannylpyridazin-3-yl)-3-pyridinyl]stannane?
The canonical SMILES for tributyl-[2-(6-phenyl-4-tributylstannylpyridazin-3-yl)-3-pyridinyl]stannane is CCCC[Sn](CCCC)(CCCC)c1cccnc1-c1nnc(-c2ccccc2)cc1[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[2-(6-phenyl-4-tributylstannylpyridazin-3-yl)-3-pyridinyl]stannane?
The InChIKey is PCUJWWALBJEBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3.6C4H9.2Sn/c1-2-6-12(7-3-1)13-9-10-15(18-17-13)14-8-4-5-11-16-14;6*1-3-4-2;;/h1-7,9,11H;6*1,3-4H2,2H3;;.
What are the key properties of tributyl-[2-(6-phenyl-4-tributylstannylpyridazin-3-yl)-3-pyridinyl]stannane?
tributyl-[2-(6-phenyl-4-tributylstannylpyridazin-3-yl)-3-pyridinyl]stannane has a molecular weight of 811.38 g/mol, XLogP of 11.32, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[2-(6-phenyl-4-tributylstannylpyridazin-3-yl)-3-pyridinyl]stannane is sourced from PubChem (CID 86079466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).