4,5-diphenyl-6-(2-phosphorosophenyl)triazine

C21H14N3OP — CID 170309692

IUPAC4,5-diphenyl-6-(2-phosphorosophenyl)triazine
SMILESO=Pc1ccccc1-c1nnnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H14N3OP/c25-26-18-14-8-7-13-17(18)21-19(15-9-3-1-4-10-15)20(22-24-23-21)16-11-5-2-6-12-16/h1-14H
InChIKeyYGYKDUNNIHOEFK-UHFFFAOYSA-N
MW355.34 g/mol
LogP4.79
Rot. Bonds4

About 4,5-diphenyl-6-(2-phosphorosophenyl)triazine

4,5-diphenyl-6-(2-phosphorosophenyl)triazine (PubChem CID 170309692) has the molecular formula C21H14N3OP and a molecular weight of 355.34 g/mol. Its IUPAC name is 4,5-diphenyl-6-(2-phosphorosophenyl)triazine.

Molecular Properties

Compound Name4,5-diphenyl-6-(2-phosphorosophenyl)triazine
PubChem CID170309692
Molecular FormulaC21H14N3OP
Molecular Weight355.34 g/mol
Exact Mass355.09
IUPAC Name4,5-diphenyl-6-(2-phosphorosophenyl)triazine
SMILESO=Pc1ccccc1-c1nnnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H14N3OP/c25-26-18-14-8-7-13-17(18)21-19(15-9-3-1-4-10-15)20(22-24-23-21)16-11-5-2-6-12-16/h1-14H
InChIKeyYGYKDUNNIHOEFK-UHFFFAOYSA-N
XLogP4.79
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-phosphorosobenzene
CID 21281617
4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine
CID 171060190
5-(4-methylphenyl)-4,6-diphenyltriazine
CID 13483660
4,5-diphenyl-6-[2-(1-phenyldibenzothiophen-2-yl)phenyl]triazine
CID 166135108
4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine
CID 175594594
4,5-diphenyl-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine
CID 166133527
4,5-diphenyl-6-[2-[4-phenyl-2,3,6-tris(2-phenylphenyl)dibenzofuran-1-yl]phenyl]triazine
CID 175875594
5-dibenzofuran-1-yl-4,6-diphenyltriazine
CID 175810934
4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine
CID 166133463
N,N-diphenyl-4-(2-phosphorosophenyl)aniline
CID 67648063
4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine
CID 166133631
4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
CID 166134551

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-6-(2-phosphorosophenyl)triazine?
The IUPAC name of 4,5-diphenyl-6-(2-phosphorosophenyl)triazine (CID 170309692) is 4,5-diphenyl-6-(2-phosphorosophenyl)triazine.
What is the SMILES notation for 4,5-diphenyl-6-(2-phosphorosophenyl)triazine?
The canonical SMILES for 4,5-diphenyl-6-(2-phosphorosophenyl)triazine is O=Pc1ccccc1-c1nnnc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4,5-diphenyl-6-(2-phosphorosophenyl)triazine?
The InChIKey is YGYKDUNNIHOEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N3OP/c25-26-18-14-8-7-13-17(18)21-19(15-9-3-1-4-10-15)20(22-24-23-21)16-11-5-2-6-12-16/h1-14H.
What are the key properties of 4,5-diphenyl-6-(2-phosphorosophenyl)triazine?
4,5-diphenyl-6-(2-phosphorosophenyl)triazine has a molecular weight of 355.34 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-6-(2-phosphorosophenyl)triazine is sourced from PubChem (CID 170309692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).