(3-morpholin-4-yl-1,3-diphenylpropa-1,2-dienyl)-triphenylsilane

C37H33NOSi — CID 14691547

IUPAC(3-morpholin-4-yl-1,3-diphenylpropa-1,2-dienyl)-triphenylsilane
SMILESC(=C(c1ccccc1)N1CCOCC1)=C(c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H33NOSi/c1-6-16-31(17-7-1)36(38-26-28-39-29-27-38)30-37(32-18-8-2-9-19-32)40(33-20-10-3-11-21-33,34-22-12-4-13-23-34)35-24-14-5-15-25-35/h1-25H,26-29H2
InChIKeyMBYKIACOYHYDIB-UHFFFAOYSA-N
MW535.76 g/mol
LogP5.75
Rot. Bonds7

About (3-morpholin-4-yl-1,3-diphenylpropa-1,2-dienyl)-triphenylsilane

(3-morpholin-4-yl-1,3-diphenylpropa-1,2-dienyl)-triphenylsilane (PubChem CID 14691547) has the molecular formula C37H33NOSi and a molecular weight of 535.76 g/mol. Its IUPAC name is (3-morpholin-4-yl-1,3-diphenylpropa-1,2-dienyl)-triphenylsilane.

Molecular Properties

Compound Name(3-morpholin-4-yl-1,3-diphenylpropa-1,2-dienyl)-triphenylsilane
PubChem CID14691547
Molecular FormulaC37H33NOSi
Molecular Weight535.76 g/mol
Exact Mass535.23
IUPAC Name(3-morpholin-4-yl-1,3-diphenylpropa-1,2-dienyl)-triphenylsilane
SMILESC(=C(c1ccccc1)N1CCOCC1)=C(c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H33NOSi/c1-6-16-31(17-7-1)36(38-26-28-39-29-27-38)30-37(32-18-8-2-9-19-32)40(33-20-10-3-11-21-33,34-22-12-4-13-23-34)35-24-14-5-15-25-35/h1-25H,26-29H2
InChIKeyMBYKIACOYHYDIB-UHFFFAOYSA-N
XLogP5.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.76
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-yl-1,3-diphenylpropa-1,2-dienyl)-triphenylsilane?
The IUPAC name of (3-morpholin-4-yl-1,3-diphenylpropa-1,2-dienyl)-triphenylsilane (CID 14691547) is (3-morpholin-4-yl-1,3-diphenylpropa-1,2-dienyl)-triphenylsilane.
What is the SMILES notation for (3-morpholin-4-yl-1,3-diphenylpropa-1,2-dienyl)-triphenylsilane?
The canonical SMILES for (3-morpholin-4-yl-1,3-diphenylpropa-1,2-dienyl)-triphenylsilane is C(=C(c1ccccc1)N1CCOCC1)=C(c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3-morpholin-4-yl-1,3-diphenylpropa-1,2-dienyl)-triphenylsilane?
The InChIKey is MBYKIACOYHYDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33NOSi/c1-6-16-31(17-7-1)36(38-26-28-39-29-27-38)30-37(32-18-8-2-9-19-32)40(33-20-10-3-11-21-33,34-22-12-4-13-23-34)35-24-14-5-15-25-35/h1-25H,26-29H2.
What are the key properties of (3-morpholin-4-yl-1,3-diphenylpropa-1,2-dienyl)-triphenylsilane?
(3-morpholin-4-yl-1,3-diphenylpropa-1,2-dienyl)-triphenylsilane has a molecular weight of 535.76 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-yl-1,3-diphenylpropa-1,2-dienyl)-triphenylsilane is sourced from PubChem (CID 14691547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).