4-diphenylphosphorylbenzonitrile

C19H14NOP — CID 23631656

IUPAC4-diphenylphosphorylbenzonitrile
SMILESN#Cc1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H14NOP/c20-15-16-11-13-19(14-12-16)22(21,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H
InChIKeyHACFJDUFXXBVMD-UHFFFAOYSA-N
MW303.30 g/mol
LogP3.20
Rot. Bonds3

About 4-diphenylphosphorylbenzonitrile

4-diphenylphosphorylbenzonitrile (PubChem CID 23631656) has the molecular formula C19H14NOP and a molecular weight of 303.30 g/mol. Its IUPAC name is 4-diphenylphosphorylbenzonitrile.

Molecular Properties

Compound Name4-diphenylphosphorylbenzonitrile
PubChem CID23631656
Molecular FormulaC19H14NOP
Molecular Weight303.30 g/mol
Exact Mass303.08
IUPAC Name4-diphenylphosphorylbenzonitrile
SMILESN#Cc1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H14NOP/c20-15-16-11-13-19(14-12-16)22(21,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H
InChIKeyHACFJDUFXXBVMD-UHFFFAOYSA-N
XLogP3.20
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 53.20
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 4-diphenylphosphorylbenzonitrile?
The IUPAC name of 4-diphenylphosphorylbenzonitrile (CID 23631656) is 4-diphenylphosphorylbenzonitrile.
What is the SMILES notation for 4-diphenylphosphorylbenzonitrile?
The canonical SMILES for 4-diphenylphosphorylbenzonitrile is N#Cc1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-diphenylphosphorylbenzonitrile?
The InChIKey is HACFJDUFXXBVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14NOP/c20-15-16-11-13-19(14-12-16)22(21,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H.
What are the key properties of 4-diphenylphosphorylbenzonitrile?
4-diphenylphosphorylbenzonitrile has a molecular weight of 303.30 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphorylbenzonitrile is sourced from PubChem (CID 23631656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).