4,5,6-triphenylazaphosphinine

C22H16NP — CID 86590065

IUPAC4,5,6-triphenylazaphosphinine
SMILESc1ccc(-c2cpnc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C22H16NP/c1-4-10-17(11-5-1)20-16-24-23-22(19-14-8-3-9-15-19)21(20)18-12-6-2-7-13-18/h1-16H
InChIKeyPONLOCYOMMVTQO-UHFFFAOYSA-N
MW325.35 g/mol
LogP6.66
Rot. Bonds3

About 4,5,6-triphenylazaphosphinine

4,5,6-triphenylazaphosphinine (PubChem CID 86590065) has the molecular formula C22H16NP and a molecular weight of 325.35 g/mol. Its IUPAC name is 4,5,6-triphenylazaphosphinine.

Molecular Properties

Compound Name4,5,6-triphenylazaphosphinine
PubChem CID86590065
Molecular FormulaC22H16NP
Molecular Weight325.35 g/mol
Exact Mass325.10
IUPAC Name4,5,6-triphenylazaphosphinine
SMILESc1ccc(-c2cpnc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C22H16NP/c1-4-10-17(11-5-1)20-16-24-23-22(19-14-8-3-9-15-19)21(20)18-12-6-2-7-13-18/h1-16H
InChIKeyPONLOCYOMMVTQO-UHFFFAOYSA-N
XLogP6.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.35
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-triphenylazaphosphinine?
The IUPAC name of 4,5,6-triphenylazaphosphinine (CID 86590065) is 4,5,6-triphenylazaphosphinine.
What is the SMILES notation for 4,5,6-triphenylazaphosphinine?
The canonical SMILES for 4,5,6-triphenylazaphosphinine is c1ccc(-c2cpnc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 4,5,6-triphenylazaphosphinine?
The InChIKey is PONLOCYOMMVTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16NP/c1-4-10-17(11-5-1)20-16-24-23-22(19-14-8-3-9-15-19)21(20)18-12-6-2-7-13-18/h1-16H.
What are the key properties of 4,5,6-triphenylazaphosphinine?
4,5,6-triphenylazaphosphinine has a molecular weight of 325.35 g/mol, XLogP of 6.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-triphenylazaphosphinine is sourced from PubChem (CID 86590065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).