diphenylphosphorylformonitrile

C13H10NOP — CID 12758642

IUPACdiphenylphosphorylformonitrile
SMILESN#CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10NOP/c14-11-16(15,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H
InChIKeyXKNOLTAFGYHTDD-UHFFFAOYSA-N
MW227.20 g/mol
LogP2.48
Rot. Bonds2

About diphenylphosphorylformonitrile

diphenylphosphorylformonitrile (PubChem CID 12758642) has the molecular formula C13H10NOP and a molecular weight of 227.20 g/mol. Its IUPAC name is diphenylphosphorylformonitrile.

Molecular Properties

Compound Namediphenylphosphorylformonitrile
PubChem CID12758642
Molecular FormulaC13H10NOP
Molecular Weight227.20 g/mol
Exact Mass227.05
IUPAC Namediphenylphosphorylformonitrile
SMILESN#CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10NOP/c14-11-16(15,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H
InChIKeyXKNOLTAFGYHTDD-UHFFFAOYSA-N
XLogP2.48
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenylphosphorylformonitrile?
The IUPAC name of diphenylphosphorylformonitrile (CID 12758642) is diphenylphosphorylformonitrile.
What is the SMILES notation for diphenylphosphorylformonitrile?
The canonical SMILES for diphenylphosphorylformonitrile is N#CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylphosphorylformonitrile?
The InChIKey is XKNOLTAFGYHTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10NOP/c14-11-16(15,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H.
What are the key properties of diphenylphosphorylformonitrile?
diphenylphosphorylformonitrile has a molecular weight of 227.20 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphorylformonitrile is sourced from PubChem (CID 12758642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).