3,5-diphenyl-4H-1,2,4-diazaphosphole

C14H11N2P — CID 14000518

IUPAC3,5-diphenyl-4H-1,2,4-diazaphosphole
SMILESc1ccc(-c2nnc(-c3ccccc3)[pH]2)cc1
InChIInChI=1S/C14H11N2P/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12/h1-10,17H
InChIKeyJXBVBXCRGCVHGG-UHFFFAOYSA-N
MW238.23 g/mol
LogP3.84
Rot. Bonds2

About 3,5-diphenyl-4H-1,2,4-diazaphosphole

3,5-diphenyl-4H-1,2,4-diazaphosphole (PubChem CID 14000518) has the molecular formula C14H11N2P and a molecular weight of 238.23 g/mol. Its IUPAC name is 3,5-diphenyl-4H-1,2,4-diazaphosphole.

Molecular Properties

Compound Name3,5-diphenyl-4H-1,2,4-diazaphosphole
PubChem CID14000518
Molecular FormulaC14H11N2P
Molecular Weight238.23 g/mol
Exact Mass238.07
IUPAC Name3,5-diphenyl-4H-1,2,4-diazaphosphole
SMILESc1ccc(-c2nnc(-c3ccccc3)[pH]2)cc1
InChIInChI=1S/C14H11N2P/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12/h1-10,17H
InChIKeyJXBVBXCRGCVHGG-UHFFFAOYSA-N
XLogP3.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-4H-1,2,4-diazaphosphole?
The IUPAC name of 3,5-diphenyl-4H-1,2,4-diazaphosphole (CID 14000518) is 3,5-diphenyl-4H-1,2,4-diazaphosphole.
What is the SMILES notation for 3,5-diphenyl-4H-1,2,4-diazaphosphole?
The canonical SMILES for 3,5-diphenyl-4H-1,2,4-diazaphosphole is c1ccc(-c2nnc(-c3ccccc3)[pH]2)cc1.
What is the InChIKey of 3,5-diphenyl-4H-1,2,4-diazaphosphole?
The InChIKey is JXBVBXCRGCVHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N2P/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12/h1-10,17H.
What are the key properties of 3,5-diphenyl-4H-1,2,4-diazaphosphole?
3,5-diphenyl-4H-1,2,4-diazaphosphole has a molecular weight of 238.23 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-4H-1,2,4-diazaphosphole is sourced from PubChem (CID 14000518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).