tributyl-(2-tributylstannylselenopheno[2,3-f][1]benzoselenol-6-yl)stannane

C34H58Se2Sn2 — CID 177471135

IUPACtributyl-(2-tributylstannylselenopheno[2,3-f][1]benzoselenol-6-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc2cc3[se]c([Sn](CCCC)(CCCC)CCCC)cc3cc2[se]1
InChIInChI=1S/C10H4Se2.6C4H9.2Sn/c1-3-11-9-6-8-2-4-12-10(8)5-7(1)9;6*1-3-4-2;;/h1-2,5-6H;6*1,3-4H2,2H3;;
InChIKeyOXGDIILZKICHGI-UHFFFAOYSA-N
MW862.18 g/mol
LogP10.22
Rot. Bonds20

About tributyl-(2-tributylstannylselenopheno[2,3-f][1]benzoselenol-6-yl)stannane

tributyl-(2-tributylstannylselenopheno[2,3-f][1]benzoselenol-6-yl)stannane (PubChem CID 177471135) has the molecular formula C34H58Se2Sn2 and a molecular weight of 862.18 g/mol. Its IUPAC name is tributyl-(2-tributylstannylselenopheno[2,3-f][1]benzoselenol-6-yl)stannane.

Molecular Properties

Compound Nametributyl-(2-tributylstannylselenopheno[2,3-f][1]benzoselenol-6-yl)stannane
PubChem CID177471135
Molecular FormulaC34H58Se2Sn2
Molecular Weight862.18 g/mol
Exact Mass866.09
IUPAC Nametributyl-(2-tributylstannylselenopheno[2,3-f][1]benzoselenol-6-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc2cc3[se]c([Sn](CCCC)(CCCC)CCCC)cc3cc2[se]1
InChIInChI=1S/C10H4Se2.6C4H9.2Sn/c1-3-11-9-6-8-2-4-12-10(8)5-7(1)9;6*1-3-4-2;;/h1-2,5-6H;6*1,3-4H2,2H3;;
InChIKeyOXGDIILZKICHGI-UHFFFAOYSA-N
XLogP10.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.18
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributyl-(2-tributylstannylselenopheno[2,3-f][1]benzoselenol-6-yl)stannane?
The IUPAC name of tributyl-(2-tributylstannylselenopheno[2,3-f][1]benzoselenol-6-yl)stannane (CID 177471135) is tributyl-(2-tributylstannylselenopheno[2,3-f][1]benzoselenol-6-yl)stannane.
What is the SMILES notation for tributyl-(2-tributylstannylselenopheno[2,3-f][1]benzoselenol-6-yl)stannane?
The canonical SMILES for tributyl-(2-tributylstannylselenopheno[2,3-f][1]benzoselenol-6-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1cc2cc3[se]c([Sn](CCCC)(CCCC)CCCC)cc3cc2[se]1.
What is the InChIKey of tributyl-(2-tributylstannylselenopheno[2,3-f][1]benzoselenol-6-yl)stannane?
The InChIKey is OXGDIILZKICHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Se2.6C4H9.2Sn/c1-3-11-9-6-8-2-4-12-10(8)5-7(1)9;6*1-3-4-2;;/h1-2,5-6H;6*1,3-4H2,2H3;;.
What are the key properties of tributyl-(2-tributylstannylselenopheno[2,3-f][1]benzoselenol-6-yl)stannane?
tributyl-(2-tributylstannylselenopheno[2,3-f][1]benzoselenol-6-yl)stannane has a molecular weight of 862.18 g/mol, XLogP of 10.22, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(2-tributylstannylselenopheno[2,3-f][1]benzoselenol-6-yl)stannane is sourced from PubChem (CID 177471135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).