isocyanato(triphenyl)stannane

C19H15NOSn — CID 11047449

IUPACisocyanato(triphenyl)stannane
SMILESO=C=N[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.CNO.Sn/c3*1-2-4-6-5-3-1;2-1-3;/h3*1-5H;;/q;;;-1;+1
InChIKeyOROLYRSMISOPFC-UHFFFAOYSA-N
MW392.05 g/mol
LogP1.99
Rot. Bonds4

About isocyanato(triphenyl)stannane

isocyanato(triphenyl)stannane (PubChem CID 11047449) has the molecular formula C19H15NOSn and a molecular weight of 392.05 g/mol. Its IUPAC name is isocyanato(triphenyl)stannane.

Molecular Properties

Compound Nameisocyanato(triphenyl)stannane
PubChem CID11047449
Molecular FormulaC19H15NOSn
Molecular Weight392.05 g/mol
Exact Mass393.02
IUPAC Nameisocyanato(triphenyl)stannane
SMILESO=C=N[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.CNO.Sn/c3*1-2-4-6-5-3-1;2-1-3;/h3*1-5H;;/q;;;-1;+1
InChIKeyOROLYRSMISOPFC-UHFFFAOYSA-N
XLogP1.99
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.05
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 isocyanato(triphenyl)stannane?
The IUPAC name of isocyanato(triphenyl)stannane (CID 11047449) is isocyanato(triphenyl)stannane.
What is the SMILES notation for isocyanato(triphenyl)stannane?
The canonical SMILES for isocyanato(triphenyl)stannane is O=C=N[Sn](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of isocyanato(triphenyl)stannane?
The InChIKey is OROLYRSMISOPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5.CNO.Sn/c3*1-2-4-6-5-3-1;2-1-3;/h3*1-5H;;/q;;;-1;+1.
What are the key properties of isocyanato(triphenyl)stannane?
isocyanato(triphenyl)stannane has a molecular weight of 392.05 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanato(triphenyl)stannane is sourced from PubChem (CID 11047449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).