diisocyanato(diphenyl)stannane

C14H10N2O2Sn — CID 14296719

IUPACdiisocyanato(diphenyl)stannane
SMILESO=C=N[Sn](N=C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C6H5.2CNO.Sn/c2*1-2-4-6-5-3-1;2*2-1-3;/h2*1-5H;;;/q;;2*-1;+2
InChIKeyFOWMERJRLFVJSJ-UHFFFAOYSA-N
MW356.96 g/mol
LogP0.91
Rot. Bonds4

About diisocyanato(diphenyl)stannane

diisocyanato(diphenyl)stannane (PubChem CID 14296719) has the molecular formula C14H10N2O2Sn and a molecular weight of 356.96 g/mol. Its IUPAC name is diisocyanato(diphenyl)stannane.

Molecular Properties

Compound Namediisocyanato(diphenyl)stannane
PubChem CID14296719
Molecular FormulaC14H10N2O2Sn
Molecular Weight356.96 g/mol
Exact Mass357.98
IUPAC Namediisocyanato(diphenyl)stannane
SMILESO=C=N[Sn](N=C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C6H5.2CNO.Sn/c2*1-2-4-6-5-3-1;2*2-1-3;/h2*1-5H;;;/q;;2*-1;+2
InChIKeyFOWMERJRLFVJSJ-UHFFFAOYSA-N
XLogP0.91
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.96
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diisocyanato(diphenyl)stannane?
The IUPAC name of diisocyanato(diphenyl)stannane (CID 14296719) is diisocyanato(diphenyl)stannane.
What is the SMILES notation for diisocyanato(diphenyl)stannane?
The canonical SMILES for diisocyanato(diphenyl)stannane is O=C=N[Sn](N=C=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of diisocyanato(diphenyl)stannane?
The InChIKey is FOWMERJRLFVJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5.2CNO.Sn/c2*1-2-4-6-5-3-1;2*2-1-3;/h2*1-5H;;;/q;;2*-1;+2.
What are the key properties of diisocyanato(diphenyl)stannane?
diisocyanato(diphenyl)stannane has a molecular weight of 356.96 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diisocyanato(diphenyl)stannane is sourced from PubChem (CID 14296719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).