2-diphenylphosphoryl-3-phenyl-2H-azirine

C20H16NOP — CID 86208256

IUPAC2-diphenylphosphoryl-3-phenyl-2H-azirine
SMILESO=P(c1ccccc1)(c1ccccc1)C1N=C1c1ccccc1
InChIInChI=1S/C20H16NOP/c22-23(17-12-6-2-7-13-17,18-14-8-3-9-15-18)20-19(21-20)16-10-4-1-5-11-16/h1-15,20H
InChIKeyLDWPDJKMYDMZKC-UHFFFAOYSA-N
MW317.33 g/mol
LogP3.83
Rot. Bonds4

About 2-diphenylphosphoryl-3-phenyl-2H-azirine

2-diphenylphosphoryl-3-phenyl-2H-azirine (PubChem CID 86208256) has the molecular formula C20H16NOP and a molecular weight of 317.33 g/mol. Its IUPAC name is 2-diphenylphosphoryl-3-phenyl-2H-azirine.

Molecular Properties

Compound Name2-diphenylphosphoryl-3-phenyl-2H-azirine
PubChem CID86208256
Molecular FormulaC20H16NOP
Molecular Weight317.33 g/mol
Exact Mass317.10
IUPAC Name2-diphenylphosphoryl-3-phenyl-2H-azirine
SMILESO=P(c1ccccc1)(c1ccccc1)C1N=C1c1ccccc1
InChIInChI=1S/C20H16NOP/c22-23(17-12-6-2-7-13-17,18-14-8-3-9-15-18)20-19(21-20)16-10-4-1-5-11-16/h1-15,20H
InChIKeyLDWPDJKMYDMZKC-UHFFFAOYSA-N
XLogP3.83
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-diphenylphosphoryl-3-phenyl-2H-azirine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-bis(diethoxyphosphoryl)-3,6-diphenyl-2,5-dihydropyrazine
CID 102245838
2,5-bis(diphenylphosphoryl)-3,6-diethyl-2,5-dihydropyrazine
CID 102245840
(1R,2S,6S,7R,8S,9S)-8,9-bis(diphenylphosphoryl)-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
CID 98107598
(1S,2S,6S,7S,8R,9S)-8,9-bis(diphenylphosphoryl)-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
CID 98043580
1-[methyl-(4-phenylphenyl)phosphoryl]-4-phenylbenzene
CID 14298647
(6-diphenylphosphorylcyclohexen-1-yl)benzene
CID 177415752
(1S,2S,3S,4S)-2,3-bis(diphenylphosphoryl)bicyclo[2.2.1]heptane
CID 6595843
2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901969
diphenylphosphorylbenzene;terbium
CID 86595283
1-diphenylphosphoryl-3-(3-diphenylphosphorylphenyl)benzene
CID 88865103
(5R,6S)-5-diphenylphosphoryl-1,6-diphenylcycloheptene
CID 102091489
phenylphosphonamidic acid
CID 18388605

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-3-phenyl-2H-azirine?
The IUPAC name of 2-diphenylphosphoryl-3-phenyl-2H-azirine (CID 86208256) is 2-diphenylphosphoryl-3-phenyl-2H-azirine.
What is the SMILES notation for 2-diphenylphosphoryl-3-phenyl-2H-azirine?
The canonical SMILES for 2-diphenylphosphoryl-3-phenyl-2H-azirine is O=P(c1ccccc1)(c1ccccc1)C1N=C1c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryl-3-phenyl-2H-azirine?
The InChIKey is LDWPDJKMYDMZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16NOP/c22-23(17-12-6-2-7-13-17,18-14-8-3-9-15-18)20-19(21-20)16-10-4-1-5-11-16/h1-15,20H.
What are the key properties of 2-diphenylphosphoryl-3-phenyl-2H-azirine?
2-diphenylphosphoryl-3-phenyl-2H-azirine has a molecular weight of 317.33 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-3-phenyl-2H-azirine is sourced from PubChem (CID 86208256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).