1,2-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide

C19H16NOP — CID 13037520

IUPAC1,2-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide
SMILESO=P1(c2ccccc2)c2ccccc2CN1c1ccccc1
InChIInChI=1S/C19H16NOP/c21-22(18-12-5-2-6-13-18)19-14-8-7-9-16(19)15-20(22)17-10-3-1-4-11-17/h1-14H,15H2
InChIKeySHTVJCDQEOZEMD-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.94
Rot. Bonds2

About 1,2-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide

1,2-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide (PubChem CID 13037520) has the molecular formula C19H16NOP and a molecular weight of 305.32 g/mol. Its IUPAC name is 1,2-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide.

Molecular Properties

Compound Name1,2-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide
PubChem CID13037520
Molecular FormulaC19H16NOP
Molecular Weight305.32 g/mol
Exact Mass305.10
IUPAC Name1,2-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide
SMILESO=P1(c2ccccc2)c2ccccc2CN1c1ccccc1
InChIInChI=1S/C19H16NOP/c21-22(18-12-5-2-6-13-18)19-14-8-7-9-16(19)15-20(22)17-10-3-1-4-11-17/h1-14H,15H2
InChIKeySHTVJCDQEOZEMD-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylsulfanylphenyl)-2-phenyl-3H-2,1λ5-benzazaphosphole 1-oxide
CID 13037489
1-methyl-2-phenyl-3H-2,1λ5-benzazaphosphole 1-oxide
CID 12722703
(1R)-1-phenyl-2,3-dihydrophosphindole 1-oxide
CID 139092919
3,4-diethyl-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide
CID 118536875
(1R,3S)-2-tert-butyl-1,3-diphenyl-3H-2,1lambda5-benzazaphosphole 1-oxide
CID 10915400
2-phenyl-1,3,2λ5-benzodithiaphosphole 2-oxide
CID 58399828
2-[(1R,3aS)-1-oxo-2-phenyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]diazaphosphol-1-yl]phenol
CID 11088318
1,1,2-triphenyl-3H-phosphindole
CID 135051318
3,4-diphenylpiperazine-2,6-dione
CID 73346350
2-phenyl-1,2λ5-oxaphosphirane 2-oxide
CID 91007999
3-phenyl-2,4-dihydro-1,3-benzothiazine
CID 21135400
3-bromo-5,10-diphenylphenophosphazinine 10-oxide
CID 140919766

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide?
The IUPAC name of 1,2-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide (CID 13037520) is 1,2-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide.
What is the SMILES notation for 1,2-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide?
The canonical SMILES for 1,2-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide is O=P1(c2ccccc2)c2ccccc2CN1c1ccccc1.
What is the InChIKey of 1,2-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide?
The InChIKey is SHTVJCDQEOZEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16NOP/c21-22(18-12-5-2-6-13-18)19-14-8-7-9-16(19)15-20(22)17-10-3-1-4-11-17/h1-14H,15H2.
What are the key properties of 1,2-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide?
1,2-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide has a molecular weight of 305.32 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide is sourced from PubChem (CID 13037520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).