diisocyanato(phenyl)phosphane

C8H5N2O2P — CID 15186832

IUPACdiisocyanato(phenyl)phosphane
SMILESO=C=NP(N=C=O)c1ccccc1
InChIInChI=1S/C8H5N2O2P/c11-6-9-13(10-7-12)8-4-2-1-3-5-8/h1-5H
InChIKeyOVGRZEAWWXFLBQ-UHFFFAOYSA-N
MW192.11 g/mol
LogP1.30
Rot. Bonds3

About diisocyanato(phenyl)phosphane

diisocyanato(phenyl)phosphane (PubChem CID 15186832) has the molecular formula C8H5N2O2P and a molecular weight of 192.11 g/mol. Its IUPAC name is diisocyanato(phenyl)phosphane.

Molecular Properties

Compound Namediisocyanato(phenyl)phosphane
PubChem CID15186832
Molecular FormulaC8H5N2O2P
Molecular Weight192.11 g/mol
Exact Mass192.01
IUPAC Namediisocyanato(phenyl)phosphane
SMILESO=C=NP(N=C=O)c1ccccc1
InChIInChI=1S/C8H5N2O2P/c11-6-9-13(10-7-12)8-4-2-1-3-5-8/h1-5H
InChIKeyOVGRZEAWWXFLBQ-UHFFFAOYSA-N
XLogP1.30
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.11
LogP ≤ 51.30
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diisocyanato(phenyl)phosphane?
The IUPAC name of diisocyanato(phenyl)phosphane (CID 15186832) is diisocyanato(phenyl)phosphane.
What is the SMILES notation for diisocyanato(phenyl)phosphane?
The canonical SMILES for diisocyanato(phenyl)phosphane is O=C=NP(N=C=O)c1ccccc1.
What is the InChIKey of diisocyanato(phenyl)phosphane?
The InChIKey is OVGRZEAWWXFLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N2O2P/c11-6-9-13(10-7-12)8-4-2-1-3-5-8/h1-5H.
What are the key properties of diisocyanato(phenyl)phosphane?
diisocyanato(phenyl)phosphane has a molecular weight of 192.11 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diisocyanato(phenyl)phosphane is sourced from PubChem (CID 15186832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).