[diazo(diphenylphosphoryl)methyl]benzene

C19H15N2OP — CID 12615609

IUPAC[diazo(diphenylphosphoryl)methyl]benzene
SMILES[N-]=[N+]=C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15N2OP/c20-21-19(16-10-4-1-5-11-16)23(22,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyBFNZXDWMJHFDHY-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.68
Rot. Bonds4

About [diazo(diphenylphosphoryl)methyl]benzene

[diazo(diphenylphosphoryl)methyl]benzene (PubChem CID 12615609) has the molecular formula C19H15N2OP and a molecular weight of 318.32 g/mol. Its IUPAC name is [diazo(diphenylphosphoryl)methyl]benzene.

Molecular Properties

Compound Name[diazo(diphenylphosphoryl)methyl]benzene
PubChem CID12615609
Molecular FormulaC19H15N2OP
Molecular Weight318.32 g/mol
Exact Mass318.09
IUPAC Name[diazo(diphenylphosphoryl)methyl]benzene
SMILES[N-]=[N+]=C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15N2OP/c20-21-19(16-10-4-1-5-11-16)23(22,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyBFNZXDWMJHFDHY-UHFFFAOYSA-N
XLogP3.68
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [diazo(diphenylphosphoryl)methyl]benzene?
The IUPAC name of [diazo(diphenylphosphoryl)methyl]benzene (CID 12615609) is [diazo(diphenylphosphoryl)methyl]benzene.
What is the SMILES notation for [diazo(diphenylphosphoryl)methyl]benzene?
The canonical SMILES for [diazo(diphenylphosphoryl)methyl]benzene is [N-]=[N+]=C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [diazo(diphenylphosphoryl)methyl]benzene?
The InChIKey is BFNZXDWMJHFDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N2OP/c20-21-19(16-10-4-1-5-11-16)23(22,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H.
What are the key properties of [diazo(diphenylphosphoryl)methyl]benzene?
[diazo(diphenylphosphoryl)methyl]benzene has a molecular weight of 318.32 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [diazo(diphenylphosphoryl)methyl]benzene is sourced from PubChem (CID 12615609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).