2,5-diphenyldiazaphosphole

C14H11N2P — CID 71366113

IUPAC2,5-diphenyldiazaphosphole
SMILESc1ccc(-c2cpn(-c3ccccc3)n2)cc1
InChIInChI=1S/C14H11N2P/c1-3-7-12(8-4-1)14-11-17-16(15-14)13-9-5-2-6-10-13/h1-11H
InChIKeyQUJSHVDDKOBTQT-UHFFFAOYSA-N
MW238.23 g/mol
LogP4.12
Rot. Bonds2

About 2,5-diphenyldiazaphosphole

2,5-diphenyldiazaphosphole (PubChem CID 71366113) has the molecular formula C14H11N2P and a molecular weight of 238.23 g/mol. Its IUPAC name is 2,5-diphenyldiazaphosphole.

Molecular Properties

Compound Name2,5-diphenyldiazaphosphole
PubChem CID71366113
Molecular FormulaC14H11N2P
Molecular Weight238.23 g/mol
Exact Mass238.07
IUPAC Name2,5-diphenyldiazaphosphole
SMILESc1ccc(-c2cpn(-c3ccccc3)n2)cc1
InChIInChI=1S/C14H11N2P/c1-3-7-12(8-4-1)14-11-17-16(15-14)13-9-5-2-6-10-13/h1-11H
InChIKeyQUJSHVDDKOBTQT-UHFFFAOYSA-N
XLogP4.12
TPSA17.82 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 ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyldiazaphosphole?
The IUPAC name of 2,5-diphenyldiazaphosphole (CID 71366113) is 2,5-diphenyldiazaphosphole.
What is the SMILES notation for 2,5-diphenyldiazaphosphole?
The canonical SMILES for 2,5-diphenyldiazaphosphole is c1ccc(-c2cpn(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,5-diphenyldiazaphosphole?
The InChIKey is QUJSHVDDKOBTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N2P/c1-3-7-12(8-4-1)14-11-17-16(15-14)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 2,5-diphenyldiazaphosphole?
2,5-diphenyldiazaphosphole has a molecular weight of 238.23 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyldiazaphosphole is sourced from PubChem (CID 71366113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).