2,3,5-triphenyl-4H-1,2,4,3-triazaphosphole

C19H16N3P — CID 23414795

IUPAC2,3,5-triphenyl-4H-1,2,4,3-triazaphosphole
SMILESc1ccc(C2=NN(c3ccccc3)P(c3ccccc3)N2)cc1
InChIInChI=1S/C19H16N3P/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18/h1-15H,(H,20,21)
InChIKeyMYXMFNCDTKSVRL-UHFFFAOYSA-N
MW317.33 g/mol
LogP4.10
Rot. Bonds3

About 2,3,5-triphenyl-4H-1,2,4,3-triazaphosphole

2,3,5-triphenyl-4H-1,2,4,3-triazaphosphole (PubChem CID 23414795) has the molecular formula C19H16N3P and a molecular weight of 317.33 g/mol. Its IUPAC name is 2,3,5-triphenyl-4H-1,2,4,3-triazaphosphole.

Molecular Properties

Compound Name2,3,5-triphenyl-4H-1,2,4,3-triazaphosphole
PubChem CID23414795
Molecular FormulaC19H16N3P
Molecular Weight317.33 g/mol
Exact Mass317.11
IUPAC Name2,3,5-triphenyl-4H-1,2,4,3-triazaphosphole
SMILESc1ccc(C2=NN(c3ccccc3)P(c3ccccc3)N2)cc1
InChIInChI=1S/C19H16N3P/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18/h1-15H,(H,20,21)
InChIKeyMYXMFNCDTKSVRL-UHFFFAOYSA-N
XLogP4.10
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzophenone phenylhydrazone
CID 68456
2,3,5-Triphenyltetrazole
CID 506591
Benzalacetophenone phenylhydrazone
CID 5716958
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CID 9578610
1,3,5-Triphenylformazan
CID 5463277
N-[(E)-[(E)-3-(4-methylphenyl)-1-phenylprop-2-enylidene]amino]aniline
CID 118706106
Diazene, phenyl[phenyl(phenylhydrazono)methyl]-
CID 68274
3,5-Diphenyl-1-(o-tolyl)formazan
CID 5750805
Triphenylformazan
CID 5464164
Benzamid-phenylhydrazon
CID 6338223
2,3,5-Triphenyl tetrazolium chloride
CID 53249492
2,3,5-triphenyl-1H-tetrazol-1-ium bromide
CID 53445285

Frequently Asked Questions

What is the IUPAC name of 2,3,5-triphenyl-4H-1,2,4,3-triazaphosphole?
The IUPAC name of 2,3,5-triphenyl-4H-1,2,4,3-triazaphosphole (CID 23414795) is 2,3,5-triphenyl-4H-1,2,4,3-triazaphosphole.
What is the SMILES notation for 2,3,5-triphenyl-4H-1,2,4,3-triazaphosphole?
The canonical SMILES for 2,3,5-triphenyl-4H-1,2,4,3-triazaphosphole is c1ccc(C2=NN(c3ccccc3)P(c3ccccc3)N2)cc1.
What is the InChIKey of 2,3,5-triphenyl-4H-1,2,4,3-triazaphosphole?
The InChIKey is MYXMFNCDTKSVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N3P/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18/h1-15H,(H,20,21).
What are the key properties of 2,3,5-triphenyl-4H-1,2,4,3-triazaphosphole?
2,3,5-triphenyl-4H-1,2,4,3-triazaphosphole has a molecular weight of 317.33 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-triphenyl-4H-1,2,4,3-triazaphosphole is sourced from PubChem (CID 23414795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).