(Z)-3-[[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]-diphenylstannyl]oxy-1,3-diphenylprop-2-en-1-one

C42H32O4Sn — CID 16683213

IUPAC(Z)-3-[[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]-diphenylstannyl]oxy-1,3-diphenylprop-2-en-1-one
SMILESO=C(/C=C(\O[Sn](O/C(=C\C(=O)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/2C15H12O2.2C6H5.Sn/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-2-4-6-5-3-1;/h2*1-11,16H;2*1-5H;/q;;;;+2/p-2/b2*14-11-;;;
InChIKeyTXPMVYFQHSGVMQ-BGFMMZJESA-L
MW719.43 g/mol
LogP8.12
Rot. Bonds12

About (Z)-3-[[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]-diphenylstannyl]oxy-1,3-diphenylprop-2-en-1-one

(Z)-3-[[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]-diphenylstannyl]oxy-1,3-diphenylprop-2-en-1-one (PubChem CID 16683213) has the molecular formula C42H32O4Sn and a molecular weight of 719.43 g/mol. Its IUPAC name is (Z)-3-[[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]-diphenylstannyl]oxy-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-[[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]-diphenylstannyl]oxy-1,3-diphenylprop-2-en-1-one
PubChem CID16683213
Molecular FormulaC42H32O4Sn
Molecular Weight719.43 g/mol
Exact Mass720.13
IUPAC Name(Z)-3-[[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]-diphenylstannyl]oxy-1,3-diphenylprop-2-en-1-one
SMILESO=C(/C=C(\O[Sn](O/C(=C\C(=O)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/2C15H12O2.2C6H5.Sn/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-2-4-6-5-3-1;/h2*1-11,16H;2*1-5H;/q;;;;+2/p-2/b2*14-11-;;;
InChIKeyTXPMVYFQHSGVMQ-BGFMMZJESA-L
XLogP8.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.43
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]-diphenylstannyl]oxy-1,3-diphenylprop-2-en-1-one?
The IUPAC name of (Z)-3-[[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]-diphenylstannyl]oxy-1,3-diphenylprop-2-en-1-one (CID 16683213) is (Z)-3-[[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]-diphenylstannyl]oxy-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-[[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]-diphenylstannyl]oxy-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for (Z)-3-[[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]-diphenylstannyl]oxy-1,3-diphenylprop-2-en-1-one is O=C(/C=C(\O[Sn](O/C(=C\C(=O)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-3-[[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]-diphenylstannyl]oxy-1,3-diphenylprop-2-en-1-one?
The InChIKey is TXPMVYFQHSGVMQ-BGFMMZJESA-L. The full InChI is InChI=1S/2C15H12O2.2C6H5.Sn/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-2-4-6-5-3-1;/h2*1-11,16H;2*1-5H;/q;;;;+2/p-2/b2*14-11-;;;.
What are the key properties of (Z)-3-[[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]-diphenylstannyl]oxy-1,3-diphenylprop-2-en-1-one?
(Z)-3-[[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]-diphenylstannyl]oxy-1,3-diphenylprop-2-en-1-one has a molecular weight of 719.43 g/mol, XLogP of 8.12, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]-diphenylstannyl]oxy-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 16683213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).