1-[azido(phenyl)phosphoryl]-2-phenylbenzene

C18H14N3OP — CID 152548936

IUPAC1-[azido(phenyl)phosphoryl]-2-phenylbenzene
SMILES[N-]=[N+]=NP(=O)(c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H14N3OP/c19-20-21-23(22,16-11-5-2-6-12-16)18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1-14H
InChIKeyYNBOHWXXCXZGBC-UHFFFAOYSA-N
MW319.30 g/mol
LogP4.89
Rot. Bonds4

About 1-[azido(phenyl)phosphoryl]-2-phenylbenzene

1-[azido(phenyl)phosphoryl]-2-phenylbenzene (PubChem CID 152548936) has the molecular formula C18H14N3OP and a molecular weight of 319.30 g/mol. Its IUPAC name is 1-[azido(phenyl)phosphoryl]-2-phenylbenzene.

Molecular Properties

Compound Name1-[azido(phenyl)phosphoryl]-2-phenylbenzene
PubChem CID152548936
Molecular FormulaC18H14N3OP
Molecular Weight319.30 g/mol
Exact Mass319.09
IUPAC Name1-[azido(phenyl)phosphoryl]-2-phenylbenzene
SMILES[N-]=[N+]=NP(=O)(c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H14N3OP/c19-20-21-23(22,16-11-5-2-6-12-16)18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1-14H
InChIKeyYNBOHWXXCXZGBC-UHFFFAOYSA-N
XLogP4.89
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[methyl(phenyl)phosphoryl]-2-phenylbenzene
CID 44633937
1-phenyl-2-[phenyl-[2-[phenyl-(2-phenylphenyl)phosphoryl]ethyl]phosphoryl]benzene
CID 44634324
[2-(4-phenylphenyl)phenyl]phosphonic acid
CID 175600433
diazido-phenyl-sulfanylidene-λ5-phosphane
CID 102014098
2,3,4,5,6-pentafluoro-N-[phenyl-(2-phenylphenyl)phosphoryl]aniline
CID 102369204
N-diphenylphosphorylcyclohepta-2,4,6-trien-1-imine
CID 15260741
[azido(phenyl)phosphoryl]benzene;methyl 5-iodocyclopenta-1,4-diene-1-carboxylate
CID 123224703
phenylmethoxy-(2-phenylphenyl)phosphinic acid
CID 139679821
1,2-bis[bis(2-phenylphenyl)phosphoryl]biphenylene
CID 87834979
1-azido-2-phenylbenzene;formamide
CID 175577237
1-(2-diphenylphosphorylphenyl)-2-methylbenzene
CID 15531741
1-methyl-2-phenylbenzene;phosphoric acid
CID 159087333

Frequently Asked Questions

What is the IUPAC name of 1-[azido(phenyl)phosphoryl]-2-phenylbenzene?
The IUPAC name of 1-[azido(phenyl)phosphoryl]-2-phenylbenzene (CID 152548936) is 1-[azido(phenyl)phosphoryl]-2-phenylbenzene.
What is the SMILES notation for 1-[azido(phenyl)phosphoryl]-2-phenylbenzene?
The canonical SMILES for 1-[azido(phenyl)phosphoryl]-2-phenylbenzene is [N-]=[N+]=NP(=O)(c1ccccc1)c1ccccc1-c1ccccc1.
What is the InChIKey of 1-[azido(phenyl)phosphoryl]-2-phenylbenzene?
The InChIKey is YNBOHWXXCXZGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N3OP/c19-20-21-23(22,16-11-5-2-6-12-16)18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1-14H.
What are the key properties of 1-[azido(phenyl)phosphoryl]-2-phenylbenzene?
1-[azido(phenyl)phosphoryl]-2-phenylbenzene has a molecular weight of 319.30 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[azido(phenyl)phosphoryl]-2-phenylbenzene is sourced from PubChem (CID 152548936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).