3-benzyl-5-phenyltriazaphosphole

C14H12N3P — CID 14000514

IUPAC3-benzyl-5-phenyltriazaphosphole
SMILESc1ccc(Cn2nnc(-c3ccccc3)p2)cc1
InChIInChI=1S/C14H12N3P/c1-3-7-12(8-4-1)11-17-16-15-14(18-17)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyTVXHQECDPLGBTA-UHFFFAOYSA-N
MW253.25 g/mol
LogP3.57
Rot. Bonds3

About 3-benzyl-5-phenyltriazaphosphole

3-benzyl-5-phenyltriazaphosphole (PubChem CID 14000514) has the molecular formula C14H12N3P and a molecular weight of 253.25 g/mol. Its IUPAC name is 3-benzyl-5-phenyltriazaphosphole.

Molecular Properties

Compound Name3-benzyl-5-phenyltriazaphosphole
PubChem CID14000514
Molecular FormulaC14H12N3P
Molecular Weight253.25 g/mol
Exact Mass253.08
IUPAC Name3-benzyl-5-phenyltriazaphosphole
SMILESc1ccc(Cn2nnc(-c3ccccc3)p2)cc1
InChIInChI=1S/C14H12N3P/c1-3-7-12(8-4-1)11-17-16-15-14(18-17)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyTVXHQECDPLGBTA-UHFFFAOYSA-N
XLogP3.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Fluorophenyl)-5-phenyl-1,3,4-selenadiazole
CID 42604461
1-Methyl-3,5-diphenyl-1H-1,2,4-diazaphosphole
CID 86106878
2,5-Diphenyl-1,3,4-selenadiazole
CID 13866377
1-Benzyl-3-phenyl-1,2,4-diazaphosphole
CID 13664986
3-Methyl-5-phenyltriazaphosphole
CID 14000513
2-(5-Phenyltriazaphosphol-3-yl)acetonitrile
CID 14000515
3,5-Diphenyltriazaphosphole
CID 14000517
3,5-Diphenyl-4H-1,2,4-diazaphosphole
CID 14000518
3,5-Diphenyl-1,2-diaza-4-phosphanidacyclopenta-2,5-diene
CID 101861870
3-Benzyl-5-phenyldithiadiazole 2-oxide
CID 142771215
3-Benzyl-5-tert-butyltriazaphosphole
CID 13360634
3-phenyl-4H-1,2,4-diazaphosphole
CID 23413742

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-phenyltriazaphosphole?
The IUPAC name of 3-benzyl-5-phenyltriazaphosphole (CID 14000514) is 3-benzyl-5-phenyltriazaphosphole.
What is the SMILES notation for 3-benzyl-5-phenyltriazaphosphole?
The canonical SMILES for 3-benzyl-5-phenyltriazaphosphole is c1ccc(Cn2nnc(-c3ccccc3)p2)cc1.
What is the InChIKey of 3-benzyl-5-phenyltriazaphosphole?
The InChIKey is TVXHQECDPLGBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N3P/c1-3-7-12(8-4-1)11-17-16-15-14(18-17)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 3-benzyl-5-phenyltriazaphosphole?
3-benzyl-5-phenyltriazaphosphole has a molecular weight of 253.25 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-phenyltriazaphosphole is sourced from PubChem (CID 14000514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).