tris[(6,6-dibenzyl-2-ethyl-7-phenylheptanoyl)oxy]stannyl 6,6-dibenzyl-2-ethyl-7-phenylheptanoate

C116H132O8Sn — CID 141210169

IUPACtris[(6,6-dibenzyl-2-ethyl-7-phenylheptanoyl)oxy]stannyl 6,6-dibenzyl-2-ethyl-7-phenylheptanoate
SMILESCCC(CCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)C(=O)O[Sn](OC(=O)C(CC)CCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)(OC(=O)C(CC)CCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)OC(=O)C(CC)CCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/4C29H34O2.Sn/c4*1-2-27(28(30)31)19-12-20-29(21-24-13-6-3-7-14-24,22-25-15-8-4-9-16-25)23-26-17-10-5-11-18-26;/h4*3-11,13-18,27H,2,12,19-23H2,1H3,(H,30,31);/q;;;;+4/p-4
InChIKeyYSHZRGJHHCGLNF-UHFFFAOYSA-J
MW1773.03 g/mol
LogP27.24
Rot. Bonds52

About tris[(6,6-dibenzyl-2-ethyl-7-phenylheptanoyl)oxy]stannyl 6,6-dibenzyl-2-ethyl-7-phenylheptanoate

tris[(6,6-dibenzyl-2-ethyl-7-phenylheptanoyl)oxy]stannyl 6,6-dibenzyl-2-ethyl-7-phenylheptanoate (PubChem CID 141210169) has the molecular formula C116H132O8Sn and a molecular weight of 1773.03 g/mol. Its IUPAC name is tris[(6,6-dibenzyl-2-ethyl-7-phenylheptanoyl)oxy]stannyl 6,6-dibenzyl-2-ethyl-7-phenylheptanoate.

Molecular Properties

Compound Nametris[(6,6-dibenzyl-2-ethyl-7-phenylheptanoyl)oxy]stannyl 6,6-dibenzyl-2-ethyl-7-phenylheptanoate
PubChem CID141210169
Molecular FormulaC116H132O8Sn
Molecular Weight1773.03 g/mol
Exact Mass1772.89
IUPAC Nametris[(6,6-dibenzyl-2-ethyl-7-phenylheptanoyl)oxy]stannyl 6,6-dibenzyl-2-ethyl-7-phenylheptanoate
SMILESCCC(CCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)C(=O)O[Sn](OC(=O)C(CC)CCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)(OC(=O)C(CC)CCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)OC(=O)C(CC)CCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/4C29H34O2.Sn/c4*1-2-27(28(30)31)19-12-20-29(21-24-13-6-3-7-14-24,22-25-15-8-4-9-16-25)23-26-17-10-5-11-18-26;/h4*3-11,13-18,27H,2,12,19-23H2,1H3,(H,30,31);/q;;;;+4/p-4
InChIKeyYSHZRGJHHCGLNF-UHFFFAOYSA-J
XLogP27.24
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds52
Heavy Atoms125
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001773.03
LogP ≤ 527.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tris[(6,6-dibenzyl-2-ethyl-7-phenylheptanoyl)oxy]stannyl 6,6-dibenzyl-2-ethyl-7-phenylheptanoate?
The IUPAC name of tris[(6,6-dibenzyl-2-ethyl-7-phenylheptanoyl)oxy]stannyl 6,6-dibenzyl-2-ethyl-7-phenylheptanoate (CID 141210169) is tris[(6,6-dibenzyl-2-ethyl-7-phenylheptanoyl)oxy]stannyl 6,6-dibenzyl-2-ethyl-7-phenylheptanoate.
What is the SMILES notation for tris[(6,6-dibenzyl-2-ethyl-7-phenylheptanoyl)oxy]stannyl 6,6-dibenzyl-2-ethyl-7-phenylheptanoate?
The canonical SMILES for tris[(6,6-dibenzyl-2-ethyl-7-phenylheptanoyl)oxy]stannyl 6,6-dibenzyl-2-ethyl-7-phenylheptanoate is CCC(CCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)C(=O)O[Sn](OC(=O)C(CC)CCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)(OC(=O)C(CC)CCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)OC(=O)C(CC)CCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of tris[(6,6-dibenzyl-2-ethyl-7-phenylheptanoyl)oxy]stannyl 6,6-dibenzyl-2-ethyl-7-phenylheptanoate?
The InChIKey is YSHZRGJHHCGLNF-UHFFFAOYSA-J. The full InChI is InChI=1S/4C29H34O2.Sn/c4*1-2-27(28(30)31)19-12-20-29(21-24-13-6-3-7-14-24,22-25-15-8-4-9-16-25)23-26-17-10-5-11-18-26;/h4*3-11,13-18,27H,2,12,19-23H2,1H3,(H,30,31);/q;;;;+4/p-4.
What are the key properties of tris[(6,6-dibenzyl-2-ethyl-7-phenylheptanoyl)oxy]stannyl 6,6-dibenzyl-2-ethyl-7-phenylheptanoate?
tris[(6,6-dibenzyl-2-ethyl-7-phenylheptanoyl)oxy]stannyl 6,6-dibenzyl-2-ethyl-7-phenylheptanoate has a molecular weight of 1773.03 g/mol, XLogP of 27.24, 52 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(6,6-dibenzyl-2-ethyl-7-phenylheptanoyl)oxy]stannyl 6,6-dibenzyl-2-ethyl-7-phenylheptanoate is sourced from PubChem (CID 141210169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).