1,3-diphenyl-2H-1,3,2-diazaphosphole-1,3-diium

C14H13N2P+2 — CID 164584870

IUPAC1,3-diphenyl-2H-1,3,2-diazaphosphole-1,3-diium
SMILESc1ccc(-[n+]2cc[n+](-c3ccccc3)[pH]2)cc1
InChIInChI=1S/C14H13N2P/c1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14/h1-12,17H/q+2
InChIKeyRIDANFMJDBFNJX-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.27
Rot. Bonds2

About 1,3-diphenyl-2H-1,3,2-diazaphosphole-1,3-diium

1,3-diphenyl-2H-1,3,2-diazaphosphole-1,3-diium (PubChem CID 164584870) has the molecular formula C14H13N2P+2 and a molecular weight of 240.25 g/mol. Its IUPAC name is 1,3-diphenyl-2H-1,3,2-diazaphosphole-1,3-diium.

Molecular Properties

Compound Name1,3-diphenyl-2H-1,3,2-diazaphosphole-1,3-diium
PubChem CID164584870
Molecular FormulaC14H13N2P+2
Molecular Weight240.25 g/mol
Exact Mass240.08
IUPAC Name1,3-diphenyl-2H-1,3,2-diazaphosphole-1,3-diium
SMILESc1ccc(-[n+]2cc[n+](-c3ccccc3)[pH]2)cc1
InChIInChI=1S/C14H13N2P/c1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14/h1-12,17H/q+2
InChIKeyRIDANFMJDBFNJX-UHFFFAOYSA-N
XLogP2.27
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-2H-1,3,2-diazaphosphole-1,3-diium?
The IUPAC name of 1,3-diphenyl-2H-1,3,2-diazaphosphole-1,3-diium (CID 164584870) is 1,3-diphenyl-2H-1,3,2-diazaphosphole-1,3-diium.
What is the SMILES notation for 1,3-diphenyl-2H-1,3,2-diazaphosphole-1,3-diium?
The canonical SMILES for 1,3-diphenyl-2H-1,3,2-diazaphosphole-1,3-diium is c1ccc(-[n+]2cc[n+](-c3ccccc3)[pH]2)cc1.
What is the InChIKey of 1,3-diphenyl-2H-1,3,2-diazaphosphole-1,3-diium?
The InChIKey is RIDANFMJDBFNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N2P/c1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14/h1-12,17H/q+2.
What are the key properties of 1,3-diphenyl-2H-1,3,2-diazaphosphole-1,3-diium?
1,3-diphenyl-2H-1,3,2-diazaphosphole-1,3-diium has a molecular weight of 240.25 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-2H-1,3,2-diazaphosphole-1,3-diium is sourced from PubChem (CID 164584870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).