butyl(1,1,2,2,3,3,4,4-octakis-phenylbutyl)tin

C56H50Sn — CID 67783521

IUPACbutyl(1,1,2,2,3,3,4,4-octakis-phenylbutyl)tin
SMILESCCCC[Sn]C(c1ccccc1)(c1ccccc1)C(c1ccccc1)(c1ccccc1)C(c1ccccc1)(c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C52H41.C4H9.Sn/c1-9-25-41(26-10-1)49(42-27-11-2-12-28-42)51(45-33-17-5-18-34-45,46-35-19-6-20-36-46)52(47-37-21-7-22-38-47,48-39-23-8-24-40-48)50(43-29-13-3-14-30-43)44-31-15-4-16-32-44;1-3-4-2;/h1-40,49H;1,3-4H2,2H3;
InChIKeyYYIVLKPBAXSHQX-UHFFFAOYSA-N
MW841.73 g/mol
LogP13.66
Rot. Bonds15

About butyl(1,1,2,2,3,3,4,4-octakis-phenylbutyl)tin

butyl(1,1,2,2,3,3,4,4-octakis-phenylbutyl)tin (PubChem CID 67783521) has the molecular formula C56H50Sn and a molecular weight of 841.73 g/mol. Its IUPAC name is butyl(1,1,2,2,3,3,4,4-octakis-phenylbutyl)tin.

Molecular Properties

Compound Namebutyl(1,1,2,2,3,3,4,4-octakis-phenylbutyl)tin
PubChem CID67783521
Molecular FormulaC56H50Sn
Molecular Weight841.73 g/mol
Exact Mass842.29
IUPAC Namebutyl(1,1,2,2,3,3,4,4-octakis-phenylbutyl)tin
SMILESCCCC[Sn]C(c1ccccc1)(c1ccccc1)C(c1ccccc1)(c1ccccc1)C(c1ccccc1)(c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C52H41.C4H9.Sn/c1-9-25-41(26-10-1)49(42-27-11-2-12-28-42)51(45-33-17-5-18-34-45,46-35-19-6-20-36-46)52(47-37-21-7-22-38-47,48-39-23-8-24-40-48)50(43-29-13-3-14-30-43)44-31-15-4-16-32-44;1-3-4-2;/h1-40,49H;1,3-4H2,2H3;
InChIKeyYYIVLKPBAXSHQX-UHFFFAOYSA-N
XLogP13.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.73
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 butyl(1,1,2,2,3,3,4,4-octakis-phenylbutyl)tin?
The IUPAC name of butyl(1,1,2,2,3,3,4,4-octakis-phenylbutyl)tin (CID 67783521) is butyl(1,1,2,2,3,3,4,4-octakis-phenylbutyl)tin.
What is the SMILES notation for butyl(1,1,2,2,3,3,4,4-octakis-phenylbutyl)tin?
The canonical SMILES for butyl(1,1,2,2,3,3,4,4-octakis-phenylbutyl)tin is CCCC[Sn]C(c1ccccc1)(c1ccccc1)C(c1ccccc1)(c1ccccc1)C(c1ccccc1)(c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of butyl(1,1,2,2,3,3,4,4-octakis-phenylbutyl)tin?
The InChIKey is YYIVLKPBAXSHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H41.C4H9.Sn/c1-9-25-41(26-10-1)49(42-27-11-2-12-28-42)51(45-33-17-5-18-34-45,46-35-19-6-20-36-46)52(47-37-21-7-22-38-47,48-39-23-8-24-40-48)50(43-29-13-3-14-30-43)44-31-15-4-16-32-44;1-3-4-2;/h1-40,49H;1,3-4H2,2H3;.
What are the key properties of butyl(1,1,2,2,3,3,4,4-octakis-phenylbutyl)tin?
butyl(1,1,2,2,3,3,4,4-octakis-phenylbutyl)tin has a molecular weight of 841.73 g/mol, XLogP of 13.66, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(1,1,2,2,3,3,4,4-octakis-phenylbutyl)tin is sourced from PubChem (CID 67783521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).